sodium (E)-octadec-9-en-1-one sulfate

Systemtic Name: sodium (E)-octadec-9-en-1-one sulfate Openeye Name: sodium (E)-octadec-9-en-1-one sulfate CAS Name: sodium (E)-9-octadecen-1-one sulfate IUPAC Name: sodium (E)-octadec-9-en-1-one sulfate Traditional Name: sodium (E)-octadec-9-en-1-one sulfate Formula: C18H33NaO5S-2 MolecularWeight: 384.50639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33O.Na.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;1-5(2,3)4/h9-10H,2-8,11-17H2,1H3;;(H2,1,2,3,4)/q-1;+1;/p-2/b10-9+;;