2-[2-(2-methylpropyl)phenyl]sulfanylpropanedioic acid

Systemtic Name: 2-[2-(2-methylpropyl)phenyl]sulfanylpropanedioic acid Openeye Name: 2-(2-isobutylphenyl)sulfanylpropanedioic acid CAS Name: 2-[[2-(2-methylpropyl)phenyl]thio]propanedioic acid IUPAC Name: 2-[2-(2-methylpropyl)phenyl]sulfanylpropanedioic acid Traditional Name: 2-[(2-isobutylphenyl)thio]malonic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC=C1SC(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=CC=C1SC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H16O4S/c1-8(2)7-9-5-3-4-6-10(9)18-11(12(14)15)13(16)17/h3-6,8,11H,7H2,1-2H3,(H,14,15)(H,16,17)