sodium (E)-2-propyl-2-sulfo-octadec-9-enoate

Systemtic Name: sodium (E)-2-propyl-2-sulfo-octadec-9-enoate Openeye Name: sodium (E)-2-propyl-2-sulfo-octadec-9-enoate CAS Name: sodium (E)-2-propyl-2-sulfo-9-octadecenoate IUPAC Name: sodium (E)-2-propyl-2-sulfooctadec-9-enoate Traditional Name: sodium (E)-2-propyl-2-sulfo-octadec-9-enoate Formula: C21H39NaO5S MolecularWeight: 426.58613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCC)(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C21H40O5S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21(18-4-2,20(22)23)27(24,25)26;/h11-12H,3-10,13-19H2,1-2H3,(H,22,23)(H,24,25,26);/q;+1/p-1/b12-11+;