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

Systemtic Name: 3,6-bis(decylsulfanyl)-4,5-bis[(4-methylphenyl)sulfanyl]phthalic acid Openeye Name: 3,6-bis(decylsulfanyl)-4,5-bis(p-tolylsulfanyl)phthalic acid CAS Name: 3,6-bis(decylthio)-4,5-bis[(4-methylphenyl)thio]phthalic acid IUPAC Name: 3,6-bis(decylsulfanyl)-4,5-bis[(4-methylphenyl)sulfanyl]phthalic acid Traditional Name: 3,6-bis(decylthio)-4,5-bis(p-tolylthio)phthalic acid Formula: C42H58O4S4 MolecularWeight: 755.16752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=C(C(=C(C(=C1C(=O)O)C(=O)O)SCCCCCCCCCC)SC2=CC=C(C=C2)C)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCSC1=C(C(=C(C(=C1C(=O)O)C(=O)O)SCCCCCCCCCC)SC2=CC=C(C=C2)C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C42H58O4S4/c1-5-7-9-11-13-15-17-19-29-47-37-35(41(43)44)36(42(45)46)38(48-30-20-18-16-14-12-10-8-6-2)40(50-34-27-23-32(4)24-28-34)39(37)49-33-25-21-31(3)22-26-33/h21-28H,5-20,29-30H2,1-4H3,(H,43,44)(H,45,46)