3,4-bis[1-(1-oxidanyl-1-oxidanylidene-tridecan-2-yl)sulfanylpropyl]phthalic acid

Systemtic Name: 3,4-bis[1-(1-oxidanyl-1-oxidanylidene-tridecan-2-yl)sulfanylpropyl]phthalic acid Openeye Name: 3,4-bis[1-(1-carboxydodecylsulfanyl)propyl]phthalic acid CAS Name: 3,4-bis[1-[(1-hydroxy-1-oxotridecan-2-yl)thio]propyl]phthalic acid IUPAC Name: 3,4-bis[1-(1-hydroxy-1-oxotridecan-2-yl)sulfanylpropyl]phthalic acid Traditional Name: 3,4-bis[1-(1-carboxydodecylthio)propyl]phthalic acid Formula: C40H66O8S2 MolecularWeight: 739.07724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H66O8S2/c1-5-9-11-13-15-17-19-21-23-25-33(38(43)44)49-31(7-3)29-27-28-30(37(41)42)36(40(47)48)35(29)32(8-4)50-34(39(45)46)26-24-22-20-18-16-14-12-10-6-2/h27-28,31-34H,5-26H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)