2-cyclohexyl-4-phosphonato-1H-pyrazol-3-one

Systemtic Name: 2-cyclohexyl-4-phosphonato-1H-pyrazol-3-one Openeye Name: 2-cyclohexyl-4-phosphonato-1H-pyrazol-3-one CAS Name: 2-cyclohexyl-4-phosphonato-1H-pyrazol-3-one IUPAC Name: 2-cyclohexyl-4-phosphonato-1H-pyrazol-3-one Traditional Name: 2-cyclohexyl-4-phosphonato-3-pyrazolin-3-one Formula: C9H13N2O4P-2 MolecularWeight: 244.184281

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CN2)P(=O)([O-])[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CN2)P(=O)([O-])[O-]

InChI

InChI=1S/C9H15N2O4P/c12-9-8(16(13,14)15)6-10-11(9)7-4-2-1-3-5-7/h6-7,10H,1-5H2,(H2,13,14,15)/p-2