3,4-dimethyl-5-propylsulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-propylsulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-propylsulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-propylsulfonylbenzoic acid IUPAC Name: 3,4-dimethyl-5-propylsulfonylbenzoic acid Traditional Name: 3,4-dimethyl-5-propylsulfonyl-benzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

InChI

InChI=1S/C12H16O4S/c1-4-5-17(15,16)11-7-10(12(13)14)6-8(2)9(11)3/h6-7H,4-5H2,1-3H3,(H,13,14)