2-(butylsulfonylmethyl)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)CC1=CC=CC=C1C(=O)O

InChI

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