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4,6-bis[(2-methylsulfanylphenyl)methyl]benzene-1,3-dicarboxylic acid

4,6-bis[(2-methylsulfanylphenyl)methyl]benzene-1,3-dicarboxylic acid

Systemtic Name:4,6-bis[(2-methylsulfanylphenyl)methyl]benzene-1,3-dicarboxylic acid
Openeye Name:4,6-bis[(2-methylsulfanylphenyl)methyl]benzene-1,3-dicarboxylic acid
CAS Name:4,6-bis[[2-(methylthio)phenyl]methyl]benzene-1,3-dicarboxylic acid
IUPAC Name:4,6-bis[(2-methylsulfanylphenyl)methyl]benzene-1,3-dicarboxylic acid
Traditional Name:4,6-bis[2-(methylthio)benzyl]isophthalic acid
Formula: C24H22O4S2
MolecularWeight: 438.55908
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=CC=C3SC


Isomeric SMILES

CSC1=CC=CC=C1CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=CC=C3SC


InChI

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


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