trisodium (11E)-3-[(11E)-icosa-1,11-dien-3-yl]oxyicosa-1,11-diene phosphate

Systemtic Name: trisodium (11E)-3-[(11E)-icosa-1,11-dien-3-yl]oxyicosa-1,11-diene phosphate Openeye Name: trisodium (11E)-3-[(E)-1-vinyloctadec-9-enoxy]icosa-1,11-diene phosphate CAS Name: trisodium (11E)-3-[(11E)-eicosa-1,11-dien-3-yl]oxyeicosa-1,11-diene phosphate IUPAC Name: trisodium (11E)-3-[(11E)-icosa-1,11-dien-3-yl]oxyicosa-1,11-diene phosphate Traditional Name: trisodium (11E)-3-[(E)-1-vinyloctadec-9-enoxy]eicosa-1,11-diene phosphate Formula: C120H222Na3O7P MolecularWeight: 1876.985551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C40H74O.3Na.H3O4P/c3*1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(7-3)41-40(8-4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2;;;;1-5(2,3)4/h3*7-8,21-24,39-40H,3-6,9-20,25-38H2,1-2H3;;;;(H3,1,2,3,4)/q;;;3*+1;/p-3/b3*23-21+,24-22+;;;;