[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]methoxymethyl-(phosphonatomethyl)phosphinate

Systemtic Name: [4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]methoxymethyl-(phosphonatomethyl)phosphinate Openeye Name: [4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]methoxymethyl-(phosphonatomethyl)phosphinate CAS Name: [4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]methoxymethyl-(phosphonatomethyl)phosphinate IUPAC Name: [4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]methoxymethyl-(phosphonatomethyl)phosphinate Traditional Name: [4-[(1E)-2,6-dimethylhepta-1,5-dienyl]benzyl]oxymethyl-(phosphonatomethyl)phosphinate Formula: C18H25O6P2-3 MolecularWeight: 399.335022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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