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

Systemtic Name: disodium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate phosphate Openeye Name: disodium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate phosphate CAS Name: disodium (E)-9-octadecenoic acid [(E)-1-oxooctadec-9-enyl] ester phosphate IUPAC Name: disodium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate phosphate Traditional Name: disodium (E)-octadec-9-enoic acid [(E)-octadec-9-enoyl] ester phosphate Formula: C36H66Na2O7P- MolecularWeight: 687.858341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66O3.2Na.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;2*+1;/p-3/b19-17+,20-18+;;;