sodium 4-octylbenzenesulfonate

Systemtic Name: sodium 4-octylbenzenesulfonate Openeye Name: sodium 4-octylbenzenesulfonate CAS Name: sodium 4-octylbenzenesulfonate IUPAC Name: sodium 4-octylbenzenesulfonate Traditional Name: sodium 4-octylbesylate Formula: C14H21NaO3S MolecularWeight: 292.36951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H22O3S.Na/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17;/h9-12H,2-8H2,1H3,(H,15,16,17);/q;+1/p-1