2-phenyl-2-sulfanyl-butanoic acid

Systemtic Name: 2-phenyl-2-sulfanyl-butanoic acid Openeye Name: 2-phenyl-2-sulfanyl-butanoic acid CAS Name: 2-mercapto-2-phenylbutanoic acid IUPAC Name: 2-phenyl-2-sulfanylbutanoic acid Traditional Name: 2-mercapto-2-phenyl-butyric acid Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2S/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,11,12)