2-octanoylbenzenesulfonate

Systemtic Name: 2-octanoylbenzenesulfonate Openeye Name: 2-octanoylbenzenesulfonate CAS Name: 2-(1-oxooctyl)benzenesulfonate IUPAC Name: 2-octanoylbenzenesulfonate Traditional Name: 2-caprylylbesylate Formula: C14H19O4S- MolecularWeight: 283.36326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C14H20O4S/c1-2-3-4-5-6-10-13(15)12-9-7-8-11-14(12)19(16,17)18/h7-9,11H,2-6,10H2,1H3,(H,16,17,18)/p-1