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2-(3-hexadecylimino-2-oxidanylidene-indol-1-yl)carbonylbenzoic acid

2-(3-hexadecylimino-2-oxidanylidene-indol-1-yl)carbonylbenzoic acid

Systemtic Name:2-(3-hexadecylimino-2-oxidanylidene-indol-1-yl)carbonylbenzoic acid
Openeye Name:2-(3-hexadecylimino-2-oxo-indoline-1-carbonyl)benzoic acid
CAS Name:2-[(3-hexadecylimino-2-oxo-1-indolyl)-oxomethyl]benzoic acid
IUPAC Name:2-(3-hexadecylimino-2-oxoindole-1-carbonyl)benzoic acid
Traditional Name:2-(3-cetylimino-2-keto-indoline-1-carbonyl)benzoic acid
Formula: C32H42N2O4
MolecularWeight: 518.68688
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN=C1C2=CC=CC=C2N(C1=O)C(=O)C3=CC=CC=C3C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCN=C1C2=CC=CC=C2N(C1=O)C(=O)C3=CC=CC=C3C(=O)O


InChI

InChI=1S/C32H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-33-29-27-22-17-18-23-28(27)34(31(29)36)30(35)25-20-15-16-21-26(25)32(37)38/h15-18,20-23H,2-14,19,24H2,1H3,(H,37,38)


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