ethyl (4E,6Z,10E)-7,11,15-trimethyl-2-phosphonato-hexadeca-4,6,10,14-tetraenoate

Systemtic Name: ethyl (4E,6Z,10E)-7,11,15-trimethyl-2-phosphonato-hexadeca-4,6,10,14-tetraenoate Openeye Name: ethyl (4E,6Z,10E)-7,11,15-trimethyl-2-phosphonato-hexadeca-4,6,10,14-tetraenoate CAS Name: (4E,6Z,10E)-7,11,15-trimethyl-2-phosphonatohexadeca-4,6,10,14-tetraenoic acid ethyl ester IUPAC Name: ethyl (4E,6Z,10E)-7,11,15-trimethyl-2-phosphonatohexadeca-4,6,10,14-tetraenoate Traditional Name: (4E,6Z,10E)-7,11,15-trimethyl-2-phosphonato-hexadeca-4,6,10,14-tetraenoic acid ethyl ester Formula: C21H33O5P-2 MolecularWeight: 396.457481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CC=C(C)CCC=C(C)CCC=C(C)C)P(=O)([O-])[O-]

Isomeric SMILES

CCOC(=O)C(C/C=C/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)P(=O)([O-])[O-]

InChI

InChI=1S/C21H35O5P/c1-6-26-21(22)20(27(23,24)25)16-8-7-12-18(4)14-10-15-19(5)13-9-11-17(2)3/h7-8,11-12,15,20H,6,9-10,13-14,16H2,1-5H3,(H2,23,24,25)/p-2/b8-7+,18-12-,19-15+