3,6-bis(decylsulfanyl)-4,5-bis[(4-methylphenyl)carbonylsulfanyl]phthalic acid

Systemtic Name: 3,6-bis(decylsulfanyl)-4,5-bis[(4-methylphenyl)carbonylsulfanyl]phthalic acid Openeye Name: 3,6-bis(decylsulfanyl)-4,5-bis[(4-methylbenzoyl)sulfanyl]phthalic acid CAS Name: 3,6-bis(decylthio)-4,5-bis[[(4-methylphenyl)-oxomethyl]thio]phthalic acid IUPAC Name: 3,6-bis(decylsulfanyl)-4,5-bis[(4-methylbenzoyl)sulfanyl]phthalic acid Traditional Name: 3,6-bis(decylthio)-4,5-bis(p-toluoylthio)phthalic acid Formula: C44H58O6S4 MolecularWeight: 811.18772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=C(C(=C(C(=C1C(=O)O)C(=O)O)SCCCCCCCCCC)SC(=O)C2=CC=C(C=C2)C)SC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCSC1=C(C(=C(C(=C1C(=O)O)C(=O)O)SCCCCCCCCCC)SC(=O)C2=CC=C(C=C2)C)SC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C44H58O6S4/c1-5-7-9-11-13-15-17-19-29-51-37-35(41(45)46)36(42(47)48)38(52-30-20-18-16-14-12-10-8-6-2)40(54-44(50)34-27-23-32(4)24-28-34)39(37)53-43(49)33-25-21-31(3)22-26-33/h21-28H,5-20,29-30H2,1-4H3,(H,45,46)(H,47,48)