3-(2-methylprop-2-enyl)-2-sulfanyl-benzoic acid

Systemtic Name: 3-(2-methylprop-2-enyl)-2-sulfanyl-benzoic acid Openeye Name: 3-(2-methylallyl)-2-sulfanyl-benzoic acid CAS Name: 2-mercapto-3-(2-methylprop-2-enyl)benzoic acid IUPAC Name: 3-(2-methylprop-2-enyl)-2-sulfanylbenzoic acid Traditional Name: 2-mercapto-3-(2-methylallyl)benzoic acid Formula: C11H12O2S MolecularWeight: 208.27678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1=CC=CC(=C1S)C(=O)O

Isomeric SMILES

CC(=C)CC1=CC=CC(=C1S)C(=O)O

InChI

InChI=1S/C11H12O2S/c1-7(2)6-8-4-3-5-9(10(8)14)11(12)13/h3-5,14H,1,6H2,2H3,(H,12,13)