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

Systemtic Name: 6-(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-6-(4-nonylphenyl)hexanoic acid CAS Name: 5-hydroxy-6-[[3-[(3-hydroxy-1,3-dioxopropyl)amino]phenyl]thio]-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 5-hydroxy-6-[3-[(3-hydroxy-3-oxopropanoyl)amino]phenyl]sulfanyl-6-(4-nonylphenyl)hexanoic acid Traditional Name: 5-hydroxy-6-[[3-[(3-hydroxy-3-keto-propanoyl)amino]phenyl]thio]-6-(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(C(CCCC(=O)O)O)SC2=CC=CC(=C2)NC(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=CC=CC(=C2)NC(=O)CC(=O)O

InChI

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