sodium 4-octanoylbenzenesulfonate

Systemtic Name: sodium 4-octanoylbenzenesulfonate Openeye Name: sodium 4-octanoylbenzenesulfonate CAS Name: sodium 4-(1-oxooctyl)benzenesulfonate IUPAC Name: sodium 4-octanoylbenzenesulfonate Traditional Name: sodium 4-caprylylbesylate Formula: C14H19NaO4S MolecularWeight: 306.35303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H20O4S.Na/c1-2-3-4-5-6-7-14(15)12-8-10-13(11-9-12)19(16,17)18;/h8-11H,2-7H2,1H3,(H,16,17,18);/q;+1/p-1