3,4-dimethyl-5-propan-2-ylsulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-propan-2-ylsulfonyl-benzoic acid Openeye Name: 3-isopropylsulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3,4-dimethyl-5-propan-2-ylsulfonylbenzoic acid IUPAC Name: 3,4-dimethyl-5-propan-2-ylsulfonylbenzoic acid Traditional Name: 3-isopropylsulfonyl-4,5-dimethyl-benzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)C(C)C)C

InChI

InChI=1S/C12H16O4S/c1-7(2)17(15,16)11-6-10(12(13)14)5-8(3)9(11)4/h5-7H,1-4H3,(H,13,14)