[(8E,12E)-9,13,17-trimethyl-1-phosphono-octadeca-8,12,16-trienyl]phosphonic acid

Systemtic Name: [(8E,12E)-9,13,17-trimethyl-1-phosphono-octadeca-8,12,16-trienyl]phosphonic acid Openeye Name: [(8E,12E)-9,13,17-trimethyl-1-phosphono-octadeca-8,12,16-trienyl]phosphonic acid CAS Name: [(8E,12E)-9,13,17-trimethyl-1-phosphonooctadeca-8,12,16-trienyl]phosphonic acid IUPAC Name: [(8E,12E)-9,13,17-trimethyl-1-phosphonooctadeca-8,12,16-trienyl]phosphonic acid Traditional Name: [(8E,12E)-9,13,17-trimethyl-1-phosphono-octadeca-8,12,16-trienyl]phosphonic acid Formula: C21H40O6P2 MolecularWeight: 450.486222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCCCCCCC(P(=O)(O)O)P(=O)(O)O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CCCCCCC(P(=O)(O)O)P(=O)(O)O)/C)/C)C

InChI

InChI=1S/C21H40O6P2/c1-18(2)12-10-14-20(4)16-11-15-19(3)13-8-6-5-7-9-17-21(28(22,23)24)29(25,26)27/h12-13,16,21H,5-11,14-15,17H2,1-4H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-16+