2-(4-nonylphenyl)-5-oxidanyl-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-hexanoic acid

Systemtic Name: 2-(4-nonylphenyl)-5-oxidanyl-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-hexanoic acid Openeye Name: 5-hydroxy-6-[3-[(3-hydroxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-2-(4-nonylphenyl)hexanoic acid CAS Name: 5-hydroxy-6-[[3-[(3-hydroxy-1,3-dioxopropyl)amino]phenyl]thio]-2-(4-nonylphenyl)hexanoic acid IUPAC Name: 5-hydroxy-6-[3-[(3-hydroxy-3-oxopropanoyl)amino]phenyl]sulfanyl-2-(4-nonylphenyl)hexanoic acid Traditional Name: 5-hydroxy-6-[[3-[(3-hydroxy-3-keto-propanoyl)amino]phenyl]thio]-2-(4-nonylphenyl)hexanoic acid Formula: C30H41NO6S MolecularWeight: 543.71464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=CC=CC(=C2)NC(=O)CC(=O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=CC=CC(=C2)NC(=O)CC(=O)O)O)C(=O)O

InChI

InChI=1S/C30H41NO6S/c1-2-3-4-5-6-7-8-10-22-13-15-23(16-14-22)27(30(36)37)18-17-25(32)21-38-26-12-9-11-24(19-26)31-28(33)20-29(34)35/h9,11-16,19,25,27,32H,2-8,10,17-18,20-21H2,1H3,(H,31,33)(H,34,35)(H,36,37)