3-butan-2-ylsulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-butan-2-ylsulfonyl-4-methyl-benzoic acid Openeye Name: 4-methyl-3-sec-butylsulfonyl-benzoic acid CAS Name: 3-butan-2-ylsulfonyl-4-methylbenzoic acid IUPAC Name: 3-butan-2-ylsulfonyl-4-methylbenzoic acid Traditional Name: 4-methyl-3-sec-butylsulfonyl-benzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-4-9(3)17(15,16)11-7-10(12(13)14)6-5-8(11)2/h5-7,9H,4H2,1-3H3,(H,13,14)