trisodium [3-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]methoxymethyl-(phosphonatomethyl)phosphinate

Systemtic Name: trisodium [3-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]methoxymethyl-(phosphonatomethyl)phosphinate Openeye Name: trisodium [3-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]methoxymethyl-(phosphonatomethyl)phosphinate CAS Name: trisodium [3-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]methoxymethyl-(phosphonatomethyl)phosphinate IUPAC Name: trisodium [3-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]methoxymethyl-(phosphonatomethyl)phosphinate Traditional Name: trisodium [3-[(1E)-2,6-dimethylhepta-1,5-dienyl]benzyl]oxymethyl-(phosphonatomethyl)phosphinate Formula: C18H25Na3O6P2 MolecularWeight: 468.304332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC1=CC(=CC=C1)COCP(=O)(CP(=O)([O-])[O-])[O-])C)C.[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=CCC/C(=C/C1=CC(=CC=C1)COCP(=O)(CP(=O)([O-])[O-])[O-])/C)C.[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H28O6P2.3Na/c1-15(2)6-4-7-16(3)10-17-8-5-9-18(11-17)12-24-13-25(19,20)14-26(21,22)23;;;/h5-6,8-11H,4,7,12-14H2,1-3H3,(H,19,20)(H2,21,22,23);;;/q;3*+1/p-3/b16-10+;;;