2-methyl-2-phenylsulfanyl-butanedioic acid

Systemtic Name: 2-methyl-2-phenylsulfanyl-butanedioic acid Openeye Name: 2-methyl-2-phenylsulfanyl-butanedioic acid CAS Name: 2-methyl-2-(phenylthio)butanedioic acid IUPAC Name: 2-methyl-2-phenylsulfanylbutanedioic acid Traditional Name: 2-methyl-2-(phenylthio)succinic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)(C(=O)O)SC1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)O)(C(=O)O)SC1=CC=CC=C1

InChI

InChI=1S/C11H12O4S/c1-11(10(14)15,7-9(12)13)16-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)(H,14,15)