sodium (Z)-1-butoxy-1-oxidanylidene-octadec-9-ene-8-sulfonate

Systemtic Name: sodium (Z)-1-butoxy-1-oxidanylidene-octadec-9-ene-8-sulfonate Openeye Name: sodium (Z)-1-butoxy-1-oxo-octadec-9-ene-8-sulfonate CAS Name: sodium (Z)-1-butoxy-1-oxo-9-octadecene-8-sulfonate IUPAC Name: sodium (Z)-1-butoxy-1-oxooctadec-9-ene-8-sulfonate Traditional Name: sodium (Z)-1-butoxy-1-keto-octadec-9-ene-8-sulfonate Formula: C22H41NaO5S MolecularWeight: 440.61271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(CCCCCCC(=O)OCCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C\C(CCCCCCC(=O)OCCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H42O5S.Na/c1-3-5-7-8-9-10-11-14-17-21(28(24,25)26)18-15-12-13-16-19-22(23)27-20-6-4-2;/h14,17,21H,3-13,15-16,18-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b17-14-;