4,6-bis[(4-methylsulfanylphenyl)methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis[(4-methylsulfanylphenyl)methyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis[(4-methylsulfanylphenyl)methyl]benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[[4-(methylthio)phenyl]methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis[(4-methylsulfanylphenyl)methyl]benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis[4-(methylthio)benzyl]isophthalic acid Formula: C24H22O4S2 MolecularWeight: 438.55908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=C(C=C3)SC

Isomeric SMILES

CSC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H22O4S2/c1-29-19-7-3-15(4-8-19)11-17-13-18(12-16-5-9-20(30-2)10-6-16)22(24(27)28)14-21(17)23(25)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,26)(H,27,28)