2-(2-cyclopentylphenyl)sulfanylpropanedioic acid

Systemtic Name: 2-(2-cyclopentylphenyl)sulfanylpropanedioic acid Openeye Name: 2-(2-cyclopentylphenyl)sulfanylpropanedioic acid CAS Name: 2-[(2-cyclopentylphenyl)thio]propanedioic acid IUPAC Name: 2-(2-cyclopentylphenyl)sulfanylpropanedioic acid Traditional Name: 2-[(2-cyclopentylphenyl)thio]malonic acid Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC=CC=C2SC(C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(C1)C2=CC=CC=C2SC(C(=O)O)C(=O)O

InChI

InChI=1S/C14H16O4S/c15-13(16)12(14(17)18)19-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,15,16)(H,17,18)