ethyl (E)-octadec-9-enoate sulfate

Systemtic Name: ethyl (E)-octadec-9-enoate sulfate Openeye Name: ethyl (E)-octadec-9-enoate sulfate CAS Name: (E)-9-octadecenoic acid ethyl ester sulfate IUPAC Name: ethyl (E)-octadec-9-enoate sulfate Traditional Name: (E)-octadec-9-enoic acid ethyl ester sulfate Formula: C20H38O6S-2 MolecularWeight: 406.57712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O2.H2O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-5(2,3)4/h11-12H,3-10,13-19H2,1-2H3;(H2,1,2,3,4)/p-2/b12-11+;