[2-(3-methyl-2-oxidanylidene-cyclohexyl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-methyl-2-oxidanylidene-cyclohexyl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-methyl-2-oxo-cyclohexyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-methyl-2-oxocyclohexyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-methyl-2-oxocyclohexyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(2-keto-3-methyl-cyclohexyl)-1-phosphono-ethyl]phosphonic acid Formula: C9H18O7P2 MolecularWeight: 300.182542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1=O)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1CCCC(C1=O)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H18O7P2/c1-6-3-2-4-7(9(6)10)5-8(17(11,12)13)18(14,15)16/h6-8H,2-5H2,1H3,(H2,11,12,13)(H2,14,15,16)