bis(phenylmethyl) 2-[(4-methylsulfanylphenyl)methyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(4-methylsulfanylphenyl)methyl]propanedioate Openeye Name: dibenzyl 2-[(4-methylsulfanylphenyl)methyl]propanedioate CAS Name: 2-[[4-(methylthio)phenyl]methyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(4-methylsulfanylphenyl)methyl]propanedioate Traditional Name: 2-[4-(methylthio)benzyl]malonic acid dibenzyl ester Formula: C25H24O4S MolecularWeight: 420.52066

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24O4S/c1-30-22-14-12-19(13-15-22)16-23(24(26)28-17-20-8-4-2-5-9-20)25(27)29-18-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3