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

Systemtic Name: 6-[3-(carboxymethylamino)phenyl]sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid Openeye Name: 6-[3-(carboxymethylamino)phenyl]sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoic acid CAS Name: 6-[[3-(carboxymethylamino)phenyl]thio]-5-hydroxy-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 6-[3-(carboxymethylamino)phenyl]sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoic acid Traditional Name: 6-[[3-(carboxymethylamino)phenyl]thio]-5-hydroxy-6-(4-nonylphenyl)hexanoic acid Formula: C29H41NO5S MolecularWeight: 515.70454

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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)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H41NO5S/c1-2-3-4-5-6-7-8-11-22-16-18-23(19-17-22)29(26(31)14-10-15-27(32)33)36-25-13-9-12-24(20-25)30-21-28(34)35/h9,12-13,16-20,26,29-31H,2-8,10-11,14-15,21H2,1H3,(H,32,33)(H,34,35)