[1-butyl-2-(3,5-dimethylphenyl)-3-oxidanylidene-pyrazol-4-yl]phosphonic acid

Systemtic Name: [1-butyl-2-(3,5-dimethylphenyl)-3-oxidanylidene-pyrazol-4-yl]phosphonic acid Openeye Name: [1-butyl-2-(3,5-dimethylphenyl)-3-oxo-pyrazol-4-yl]phosphonic acid CAS Name: [1-butyl-2-(3,5-dimethylphenyl)-3-oxo-4-pyrazolyl]phosphonic acid IUPAC Name: [1-butyl-2-(3,5-dimethylphenyl)-3-oxopyrazol-4-yl]phosphonic acid Traditional Name: [1-butyl-2-(3,5-dimethylphenyl)-3-keto-3-pyrazolin-4-yl]phosphonic acid Formula: C15H21N2O4P MolecularWeight: 324.312001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)N1C2=CC(=CC(=C2)C)C)P(=O)(O)O

Isomeric SMILES

CCCCN1C=C(C(=O)N1C2=CC(=CC(=C2)C)C)P(=O)(O)O

InChI

InChI=1S/C15H21N2O4P/c1-4-5-6-16-10-14(22(19,20)21)15(18)17(16)13-8-11(2)7-12(3)9-13/h7-10H,4-6H2,1-3H3,(H2,19,20,21)