[5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-thiophen-2-yl]methoxymethyl-(phosphonatomethyl)phosphinate

Systemtic Name: [5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-thiophen-2-yl]methoxymethyl-(phosphonatomethyl)phosphinate Openeye Name: [5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-2-thienyl]methoxymethyl-(phosphonatomethyl)phosphinate CAS Name: [5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-2-thiophenyl]methoxymethyl-(phosphonatomethyl)phosphinate IUPAC Name: [5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methylthiophen-2-yl]methoxymethyl-(phosphonatomethyl)phosphinate Traditional Name: [5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-2-thienyl]methoxymethyl-(phosphonatomethyl)phosphinate Formula: C17H25O6P2S-3 MolecularWeight: 419.389322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C=C(C)CCC=C(C)C)COCP(=O)(CP(=O)([O-])[O-])[O-]

Isomeric SMILES

CC1=C(SC(=C1)/C=C(\C)/CCC=C(C)C)COCP(=O)(CP(=O)([O-])[O-])[O-]

InChI

InChI=1S/C17H28O6P2S/c1-13(2)6-5-7-14(3)8-16-9-15(4)17(26-16)10-23-11-24(18,19)12-25(20,21)22/h6,8-9H,5,7,10-12H2,1-4H3,(H,18,19)(H2,20,21,22)/p-3/b14-8+