2-(2-butan-2-ylphenyl)sulfanylpropanedioic acid

Systemtic Name: 2-(2-butan-2-ylphenyl)sulfanylpropanedioic acid Openeye Name: 2-(2-sec-butylphenyl)sulfanylpropanedioic acid CAS Name: 2-[(2-butan-2-ylphenyl)thio]propanedioic acid IUPAC Name: 2-(2-butan-2-ylphenyl)sulfanylpropanedioic acid Traditional Name: 2-[(2-sec-butylphenyl)thio]malonic acid Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1SC(C(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=CC=C1SC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H16O4S/c1-3-8(2)9-6-4-5-7-10(9)18-11(12(14)15)13(16)17/h4-8,11H,3H2,1-2H3,(H,14,15)(H,16,17)