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Benzoxazolines

Benzoxazolines

Organic heterocyclic compounds that consist of benzene fused with an oxazolines; oxazolines are a five-membered ring with three carbon atoms, one oxygen atom, and one nitrogen atom.
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1

3,3'-Diethyloxadicarbocyanine iodide, 96%, Thermo Scientific Chemicals

CAS: 14806-50-9 Molecular Formula: C23H23IN2O2 Molecular Weight (g/mol): 486.35 MDL Number: MFCD00011953,MFCD00011953 InChI Key: CLDZYSUDOQXJOU-UHFFFAOYSA-M Synonym: dodc iodide,3-ethyl-2-5-3-ethyl-2-benzoxazolinylidene-1,3-pentadienyl benzoxazolium iodide,5-3-ethylbenzoxazol-2-ylidene-1-3-ethylbenzoxazolium-2-yl-1,3-pentadiene iodide PubChem CID: 91972131 ChEBI: CHEBI:51899 IUPAC Name: (2Z)-3-ethyl-2-[5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide SMILES: [I-].CCN1\C(OC2=CC=CC=C12)=C\C=C\C=CC1=[N+](CC)C2=CC=CC=C2O1

PubChem CID 91972131
CAS 14806-50-9
Molecular Weight (g/mol) 486.35
ChEBI CHEBI:51899
MDL Number MFCD00011953,MFCD00011953
SMILES [I-].CCN1\C(OC2=CC=CC=C12)=C\C=C\C=CC1=[N+](CC)C2=CC=CC=C2O1
Synonym dodc iodide,3-ethyl-2-5-3-ethyl-2-benzoxazolinylidene-1,3-pentadienyl benzoxazolium iodide,5-3-ethylbenzoxazol-2-ylidene-1-3-ethylbenzoxazolium-2-yl-1,3-pentadiene iodide
IUPAC Name (2Z)-3-ethyl-2-[5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide
InChI Key CLDZYSUDOQXJOU-UHFFFAOYSA-M
Molecular Formula C23H23IN2O2
2

ERB 041, Tocris Bioscience™

CAS: 524684-52-4 Molecular Formula: C15H10FNO3 Molecular Weight (g/mol): 271.247 InChI Key: FCXYSEXZEGPLGG-DHDCSXOGSA-N Synonym: prinaberel,unii-a9c8mnf7ca,a9c8mnf7ca,2-3-fluoro-4-hydroxyphenyl-7-vinyl-1,3-benzoxazol-5-ol,prinaberel usan:inn,4-2z-7-ethenyl-5-hydroxy-3h-1,3-benzoxazol-2-ylidene-2-fluorocyclohexa-2,5-dien-1-one,prinaberel usan/inn,bidd:er0139,erb hplc,7-ethenyl-2-3-fluoro-4-hydroxyphenyl benzoxazol-5-ol PubChem CID: 5326893 IUPAC Name: (4Z)-4-(7-ethenyl-5-hydroxy-3H-1,3-benzoxazol-2-ylidene)-2-fluorocyclohexa-2,5-dien-1-one SMILES: C=CC1=CC(=CC2=C1OC(=C3C=CC(=O)C(=C3)F)N2)O

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PubChem CID 5326893
CAS 524684-52-4
Molecular Weight (g/mol) 271.247
SMILES C=CC1=CC(=CC2=C1OC(=C3C=CC(=O)C(=C3)F)N2)O
Synonym prinaberel,unii-a9c8mnf7ca,a9c8mnf7ca,2-3-fluoro-4-hydroxyphenyl-7-vinyl-1,3-benzoxazol-5-ol,prinaberel usan:inn,4-2z-7-ethenyl-5-hydroxy-3h-1,3-benzoxazol-2-ylidene-2-fluorocyclohexa-2,5-dien-1-one,prinaberel usan/inn,bidd:er0139,erb hplc,7-ethenyl-2-3-fluoro-4-hydroxyphenyl benzoxazol-5-ol
IUPAC Name (4Z)-4-(7-ethenyl-5-hydroxy-3H-1,3-benzoxazol-2-ylidene)-2-fluorocyclohexa-2,5-dien-1-one
InChI Key FCXYSEXZEGPLGG-DHDCSXOGSA-N
Molecular Formula C15H10FNO3
3

3,3'-Di-n-pentyloxadicarbocyanine iodide, 96%, Thermo Scientific™

CAS: 53213-92-6 Molecular Formula: C29H35IN2O2 Molecular Weight (g/mol): 570.515 MDL Number: MFCD07433847 InChI Key: WSRFDTBIGBFQOK-UHFFFAOYSA-M Synonym: 3-pentyl-2-1e,3e-5-3-pentyl-1,3-benzoxazol-2 3h-ylidene-1,3-pentadienyl-1,3-benzoxazol-3-ium iodide,3-pentyl-2-5-3-pentyl-1,3-benzoxazol-3-ium-2-yl penta-2,4,3-pentyl-2-1e,3e,5z-5-3-pentylbenzo d oxazol-2 3h-ylidene penta-1,3-dien-1-yl benzo d oxazol-3-ium iodide,3-pentyl-2-5-3-pentyl-1,3-benzoxazol-2 3h-ylidene penta-1,3-dien-1-yl-1,3-benzoxazol-3-ium iodide PubChem CID: 53425759 IUPAC Name: 3-pentyl-2-[5-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide SMILES: CCCCCN1C2=CC=CC=C2OC1=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCC.[I-]

PubChem CID 53425759
CAS 53213-92-6
Molecular Weight (g/mol) 570.515
MDL Number MFCD07433847
SMILES CCCCCN1C2=CC=CC=C2OC1=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCC.[I-]
Synonym 3-pentyl-2-1e,3e-5-3-pentyl-1,3-benzoxazol-2 3h-ylidene-1,3-pentadienyl-1,3-benzoxazol-3-ium iodide,3-pentyl-2-5-3-pentyl-1,3-benzoxazol-3-ium-2-yl penta-2,4,3-pentyl-2-1e,3e,5z-5-3-pentylbenzo d oxazol-2 3h-ylidene penta-1,3-dien-1-yl benzo d oxazol-3-ium iodide,3-pentyl-2-5-3-pentyl-1,3-benzoxazol-2 3h-ylidene penta-1,3-dien-1-yl-1,3-benzoxazol-3-ium iodide
IUPAC Name 3-pentyl-2-[5-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide
InChI Key WSRFDTBIGBFQOK-UHFFFAOYSA-M
Molecular Formula C29H35IN2O2
4

3,3'-Di-n-heptyloxacarbocyanine iodide, 97%, Thermo Scientific™

CAS: 53213-83-5 Molecular Formula: C31H41IN2O2 Molecular Weight (g/mol): 600.59 MDL Number: MFCD00274413,MFCD00274413,MFCD00274413 InChI Key: ANJZLSIIEGUCQL-UHFFFAOYSA-M Synonym: 3,3'-diheptyloxacarbocyanine iodide PubChem CID: 102600931 IUPAC Name: (2E)-3-heptyl-2-[(Z)-3-(3-heptyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide SMILES: [I-].CCCCCCCN1C(OC2=CC=CC=C12)=CC=CC1=[N+](CCCCCCC)C2=CC=CC=C2O1

PubChem CID 102600931
CAS 53213-83-5
Molecular Weight (g/mol) 600.59
MDL Number MFCD00274413,MFCD00274413,MFCD00274413
SMILES [I-].CCCCCCCN1C(OC2=CC=CC=C12)=CC=CC1=[N+](CCCCCCC)C2=CC=CC=C2O1
Synonym 3,3'-diheptyloxacarbocyanine iodide
IUPAC Name (2E)-3-heptyl-2-[(Z)-3-(3-heptyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide
InChI Key ANJZLSIIEGUCQL-UHFFFAOYSA-M
Molecular Formula C31H41IN2O2