sodium 4-decanoyloxybenzenesulfonate

Systemtic Name: sodium 4-decanoyloxybenzenesulfonate Openeye Name: sodium 4-decanoyloxybenzenesulfonate CAS Name: sodium 4-(1-oxodecoxy)benzenesulfonate IUPAC Name: sodium 4-decanoyloxybenzenesulfonate Traditional Name: sodium 4-capryloxybesylate Formula: C16H23NaO5S MolecularWeight: 350.40559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H24O5S.Na/c1-2-3-4-5-6-7-8-9-16(17)21-14-10-12-15(13-11-14)22(18,19)20;/h10-13H,2-9H2,1H3,(H,18,19,20);/q;+1/p-1