3-propan-2-yl-2-sulfanyl-benzoic acid

Systemtic Name: 3-propan-2-yl-2-sulfanyl-benzoic acid Openeye Name: 3-isopropyl-2-sulfanyl-benzoic acid CAS Name: 2-mercapto-3-propan-2-ylbenzoic acid IUPAC Name: 3-propan-2-yl-2-sulfanylbenzoic acid Traditional Name: 3-isopropyl-2-mercapto-benzoic acid Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1S)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC(=C1S)C(=O)O

InChI

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