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

Systemtic Name: 3,4,5,6-tetrakis[(4-methylphenyl)sulfanyl]phthalic acid Openeye Name: 3,4,5,6-tetrakis(p-tolylsulfanyl)phthalic acid CAS Name: 3,4,5,6-tetrakis[(4-methylphenyl)thio]phthalic acid IUPAC Name: 3,4,5,6-tetrakis[(4-methylphenyl)sulfanyl]phthalic acid Traditional Name: 3,4,5,6-tetrakis(p-tolylthio)phthalic acid Formula: C36H30O4S4 MolecularWeight: 654.881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=C(C(=C2C(=O)O)C(=O)O)SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C)SC5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=C(C(=C2C(=O)O)C(=O)O)SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C)SC5=CC=C(C=C5)C

InChI

InChI=1S/C36H30O4S4/c1-21-5-13-25(14-6-21)41-31-29(35(37)38)30(36(39)40)32(42-26-15-7-22(2)8-16-26)34(44-28-19-11-24(4)12-20-28)33(31)43-27-17-9-23(3)10-18-27/h5-20H,1-4H3,(H,37,38)(H,39,40)