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

Systemtic Name: 6-[3-(2-carboxyethylamino)phenyl]sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid Openeye Name: 6-[3-(2-carboxyethylamino)phenyl]sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoic acid CAS Name: 6-[[3-(2-carboxyethylamino)phenyl]thio]-5-hydroxy-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 6-[3-(2-carboxyethylamino)phenyl]sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoic acid Traditional Name: 6-[[3-(2-carboxyethylamino)phenyl]thio]-5-hydroxy-6-(4-nonylphenyl)hexanoic acid Formula: C30H43NO5S MolecularWeight: 529.73112

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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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO5S/c1-2-3-4-5-6-7-8-11-23-16-18-24(19-17-23)30(27(32)14-10-15-28(33)34)37-26-13-9-12-25(22-26)31-21-20-29(35)36/h9,12-13,16-19,22,27,30-32H,2-8,10-11,14-15,20-21H2,1H3,(H,33,34)(H,35,36)