2-(2-methylpropyl)-2-[[2-(phenylmethylsulfanyl)phenyl]methyl]propanedioic acid

Systemtic Name: 2-(2-methylpropyl)-2-[[2-(phenylmethylsulfanyl)phenyl]methyl]propanedioic acid Openeye Name: 2-[(2-benzylsulfanylphenyl)methyl]-2-isobutyl-propanedioic acid CAS Name: 2-(2-methylpropyl)-2-[[2-(phenylmethylthio)phenyl]methyl]propanedioic acid IUPAC Name: 2-[(2-benzylsulfanylphenyl)methyl]-2-(2-methylpropyl)propanedioic acid Traditional Name: 2-[2-(benzylthio)benzyl]-2-isobutyl-malonic acid Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=CC=CC=C1SCC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC(CC1=CC=CC=C1SCC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C21H24O4S/c1-15(2)12-21(19(22)23,20(24)25)13-17-10-6-7-11-18(17)26-14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,23)(H,24,25)