3-methylsulfonyl-4-propan-2-yl-benzoic acid

Systemtic Name: 3-methylsulfonyl-4-propan-2-yl-benzoic acid Openeye Name: 4-isopropyl-3-methylsulfonyl-benzoic acid CAS Name: 3-methylsulfonyl-4-propan-2-ylbenzoic acid IUPAC Name: 3-methylsulfonyl-4-propan-2-ylbenzoic acid Traditional Name: 4-isopropyl-3-mesyl-benzoic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-7(2)9-5-4-8(11(12)13)6-10(9)16(3,14)15/h4-7H,1-3H3,(H,12,13)