disodium ethyl 5-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-methyl-amino]-2-phosphonato-pentanoate

Systemtic Name: disodium ethyl 5-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-methyl-amino]-2-phosphonato-pentanoate Openeye Name: disodium ethyl 5-[methyl-[(4E)-1,5,9-trimethyldeca-4,8-dienyl]amino]-2-phosphonato-pentanoate CAS Name: disodium 5-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-methylamino]-2-phosphonatopentanoic acid ethyl ester IUPAC Name: disodium ethyl 5-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]-methylamino]-2-phosphonatopentanoate Traditional Name: disodium 5-[methyl-[(4E)-1,5,9-trimethyldeca-4,8-dienyl]amino]-2-phosphonato-valeric acid ethyl ester Formula: C21H38NNa2O5P MolecularWeight: 461.483421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN(C)C(C)CCC=C(C)CCC=C(C)C)P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCOC(=O)C(CCCN(C)C(C)CC/C=C(\C)/CCC=C(C)C)P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C21H40NO5P.2Na/c1-7-27-21(23)20(28(24,25)26)15-10-16-22(6)19(5)14-9-13-18(4)12-8-11-17(2)3;;/h11,13,19-20H,7-10,12,14-16H2,1-6H3,(H2,24,25,26);;/q;2*+1/p-2/b18-13+;;