sodium (E)-octadec-9-enoate sulfate

Systemtic Name: sodium (E)-octadec-9-enoate sulfate Openeye Name: sodium (E)-octadec-9-enoate sulfate CAS Name: sodium (E)-9-octadecenoate sulfate IUPAC Name: sodium (E)-octadec-9-enoate sulfate Traditional Name: sodium (E)-octadec-9-enoate sulfate Formula: C18H33NaO6S-2 MolecularWeight: 400.50579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.Na.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;1-5(2,3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);;(H2,1,2,3,4)/q;+1;/p-3/b10-9+;;