sodium 2-decanoyloxybenzenesulfonate

Systemtic Name: sodium 2-decanoyloxybenzenesulfonate Openeye Name: sodium 2-decanoyloxybenzenesulfonate CAS Name: sodium 2-(1-oxodecoxy)benzenesulfonate IUPAC Name: sodium 2-decanoyloxybenzenesulfonate Traditional Name: sodium 2-capryloxybesylate Formula: C16H23NaO5S MolecularWeight: 350.40559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H24O5S.Na/c1-2-3-4-5-6-7-8-13-16(17)21-14-11-9-10-12-15(14)22(18,19)20;/h9-12H,2-8,13H2,1H3,(H,18,19,20);/q;+1/p-1