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

Systemtic Name: 6-[3-[carboxymethyl(methanoyl)amino]phenyl]sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid Openeye Name: 6-[3-[carboxymethyl(formyl)amino]phenyl]sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoic acid CAS Name: 6-[[3-[carboxymethyl(formyl)amino]phenyl]thio]-5-hydroxy-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 6-[3-[carboxymethyl(formyl)amino]phenyl]sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoic acid Traditional Name: 6-[[3-[carboxymethyl(formyl)amino]phenyl]thio]-5-hydroxy-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)N(CC(=O)O)C=O

Isomeric SMILES

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

InChI

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