(E)-octadec-9-enoate sulfate

Systemtic Name: (E)-octadec-9-enoate sulfate Openeye Name: (E)-octadec-9-enoate sulfate CAS Name: (E)-9-octadecenoate sulfate IUPAC Name: (E)-octadec-9-enoate sulfate Traditional Name: (E)-octadec-9-enoate sulfate Formula: C18H33O6S-3 MolecularWeight: 377.51602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.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)/p-3/b10-9+;