3-pentylsulfonylbenzoic acid

Systemtic Name: 3-pentylsulfonylbenzoic acid Openeye Name: 3-pentylsulfonylbenzoic acid CAS Name: 3-pentylsulfonylbenzoic acid IUPAC Name: 3-pentylsulfonylbenzoic acid Traditional Name: 3-amylsulfonylbenzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCCS(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

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