3-octylsulfonylbenzoic acid

Systemtic Name: 3-octylsulfonylbenzoic acid Openeye Name: 3-octylsulfonylbenzoic acid CAS Name: 3-octylsulfonylbenzoic acid IUPAC Name: 3-octylsulfonylbenzoic acid Traditional Name: 3-octylsulfonylbenzoic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C15H22O4S/c1-2-3-4-5-6-7-11-20(18,19)14-10-8-9-13(12-14)15(16)17/h8-10,12H,2-7,11H2,1H3,(H,16,17)