6-[3-(carboxycarbonylamino)phenyl]sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid

Systemtic Name: 6-[3-(carboxycarbonylamino)phenyl]sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid Openeye Name: 5-hydroxy-6-(4-nonylphenyl)-6-[3-(oxaloamino)phenyl]sulfanyl-hexanoic acid CAS Name: 5-hydroxy-6-(4-nonylphenyl)-6-[[3-(oxaloamino)phenyl]thio]hexanoic acid IUPAC Name: 5-hydroxy-6-(4-nonylphenyl)-6-[3-(oxaloamino)phenyl]sulfanylhexanoic acid Traditional Name: 5-hydroxy-6-(4-nonylphenyl)-6-[[3-(oxaloamino)phenyl]thio]hexanoic acid Formula: C29H39NO6S MolecularWeight: 529.68806

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H39NO6S/c1-2-3-4-5-6-7-8-11-21-16-18-22(19-17-21)27(25(31)14-10-15-26(32)33)37-24-13-9-12-23(20-24)30-28(34)29(35)36/h9,12-13,16-20,25,27,31H,2-8,10-11,14-15H2,1H3,(H,30,34)(H,32,33)(H,35,36)