2-[4-(1-oxidanyl-1-oxidanylidene-2-sulfanyl-tridecan-2-yl)phenyl]-2-sulfanyl-tridecanoic acid

Systemtic Name: 2-[4-(1-oxidanyl-1-oxidanylidene-2-sulfanyl-tridecan-2-yl)phenyl]-2-sulfanyl-tridecanoic acid Openeye Name: 2-[4-(1-carboxy-1-sulfanyl-dodecyl)phenyl]-2-sulfanyl-tridecanoic acid CAS Name: 2-[4-(1-hydroxy-2-mercapto-1-oxotridecan-2-yl)phenyl]-2-mercaptotridecanoic acid IUPAC Name: 2-[4-(1-hydroxy-1-oxo-2-sulfanyltridecan-2-yl)phenyl]-2-sulfanyltridecanoic acid Traditional Name: 2-[4-(1-carboxy-1-mercapto-dodecyl)phenyl]-2-mercapto-tridecanoic acid Formula: C32H54O4S2 MolecularWeight: 566.89876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=C(C=C1)C(CCCCCCCCCCC)(C(=O)O)S)(C(=O)O)S

Isomeric SMILES

CCCCCCCCCCCC(C1=CC=C(C=C1)C(CCCCCCCCCCC)(C(=O)O)S)(C(=O)O)S

InChI

InChI=1S/C32H54O4S2/c1-3-5-7-9-11-13-15-17-19-25-31(37,29(33)34)27-21-23-28(24-22-27)32(38,30(35)36)26-20-18-16-14-12-10-8-6-4-2/h21-24,37-38H,3-20,25-26H2,1-2H3,(H,33,34)(H,35,36)