2-octylsulfonylbenzoic acid

Systemtic Name: 2-octylsulfonylbenzoic acid Openeye Name: 2-octylsulfonylbenzoic acid CAS Name: 2-octylsulfonylbenzoic acid IUPAC Name: 2-octylsulfonylbenzoic acid Traditional Name: 2-octylsulfonylbenzoic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C15H22O4S/c1-2-3-4-5-6-9-12-20(18,19)14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3,(H,16,17)