(4,4-dimethyl-3-oxidanylidene-1-phosphono-hept-1-enyl)phosphonic acid

Systemtic Name: (4,4-dimethyl-3-oxidanylidene-1-phosphono-hept-1-enyl)phosphonic acid Openeye Name: (4,4-dimethyl-3-oxo-1-phosphono-hept-1-enyl)phosphonic acid CAS Name: (4,4-dimethyl-3-oxo-1-phosphonohept-1-enyl)phosphonic acid IUPAC Name: (4,4-dimethyl-3-oxo-1-phosphonohept-1-enyl)phosphonic acid Traditional Name: (3-keto-4,4-dimethyl-1-phosphono-hept-1-enyl)phosphonic acid Formula: C9H18O7P2 MolecularWeight: 300.182542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(=O)C=C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCC(C)(C)C(=O)C=C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H18O7P2/c1-4-5-9(2,3)7(10)6-8(17(11,12)13)18(14,15)16/h6H,4-5H2,1-3H3,(H2,11,12,13)(H2,14,15,16)