5-(octadecanoylamino)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-(octadecanoylamino)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-(octadecanoylamino)benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-(1-oxooctadecylamino)benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-(octadecanoylamino)benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-stearamido-benzoic acid Formula: C38H47NO6 MolecularWeight: 613.78288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C38H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36(42)39-27-18-21-30(33(24-27)38(43)44)37-31-22-19-28(40)25-34(31)45-35-26-29(41)20-23-32(35)37/h18-26,40H,2-17H2,1H3,(H,39,42)(H,43,44)