2-octanoylbenzenesulfonic acid

Systemtic Name: 2-octanoylbenzenesulfonic acid Openeye Name: 2-octanoylbenzenesulfonic acid CAS Name: 2-(1-oxooctyl)benzenesulfonic acid IUPAC Name: 2-octanoylbenzenesulfonic acid Traditional Name: 2-caprylylbesylic acid Formula: C14H20O4S MolecularWeight: 284.3712

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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)