ethyl (E)-octadec-9-enoate phosphate

Systemtic Name: ethyl (E)-octadec-9-enoate phosphate Openeye Name: ethyl (E)-octadec-9-enoate phosphate CAS Name: (E)-9-octadecenoic acid ethyl ester phosphate IUPAC Name: ethyl (E)-octadec-9-enoate phosphate Traditional Name: (E)-octadec-9-enoic acid ethyl ester phosphate Formula: C20H38O6P-3 MolecularWeight: 405.485881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O2.H3O4P/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;(H3,1,2,3,4)/p-3/b12-11+;