potassium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate phosphate

Systemtic Name: potassium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate phosphate Openeye Name: potassium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate phosphate CAS Name: potassium (E)-9-octadecenoic acid [(E)-1-oxooctadec-9-enyl] ester phosphate IUPAC Name: potassium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate phosphate Traditional Name: potassium (E)-octadec-9-enoic acid [(E)-octadec-9-enoyl] ester phosphate Formula: C36H66KO7P-2 MolecularWeight: 680.977101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCCCCCCCC.[O-]P(=O)([O-])[O-].[K+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC.[O-]P(=O)([O-])[O-].[K+]

InChI

InChI=1S/C36H66O3.K.H3O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h17-20H,3-16,21-34H2,1-2H3;;(H3,1,2,3,4)/q;+1;/p-3/b19-17+,20-18+;;