3-(butan-2-ylsulfonylmethyl)benzoic acid

Systemtic Name: 3-(butan-2-ylsulfonylmethyl)benzoic acid Openeye Name: 3-(sec-butylsulfonylmethyl)benzoic acid CAS Name: 3-(butan-2-ylsulfonylmethyl)benzoic acid IUPAC Name: 3-(butan-2-ylsulfonylmethyl)benzoic acid Traditional Name: 3-(sec-butylsulfonylmethyl)benzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-3-9(2)17(15,16)8-10-5-4-6-11(7-10)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)