methyl 3-propan-2-yl-2-sulfanyl-benzoate

Systemtic Name: methyl 3-propan-2-yl-2-sulfanyl-benzoate Openeye Name: methyl 3-isopropyl-2-sulfanyl-benzoate CAS Name: 2-mercapto-3-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 3-propan-2-yl-2-sulfanylbenzoate Traditional Name: 3-isopropyl-2-mercapto-benzoic acid methyl ester Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-7(2)8-5-4-6-9(10(8)14)11(12)13-3/h4-7,14H,1-3H3