(4-ethyl-4-methyl-3-oxidanylidene-1-phosphono-hex-1-enyl)phosphonic acid

Systemtic Name: (4-ethyl-4-methyl-3-oxidanylidene-1-phosphono-hex-1-enyl)phosphonic acid Openeye Name: (4-ethyl-4-methyl-3-oxo-1-phosphono-hex-1-enyl)phosphonic acid CAS Name: (4-ethyl-4-methyl-3-oxo-1-phosphonohex-1-enyl)phosphonic acid IUPAC Name: (4-ethyl-4-methyl-3-oxo-1-phosphonohex-1-enyl)phosphonic acid Traditional Name: (4-ethyl-3-keto-4-methyl-1-phosphono-hex-1-enyl)phosphonic acid Formula: C9H18O7P2 MolecularWeight: 300.182542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O7P2/c1-4-9(3,5-2)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)