(2,2-dimethyl-3-oxidanyl-propoxy)-[4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-cyclohex-3-en-1-yl]phosphinic acid

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propoxy)-[4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-cyclohex-3-en-1-yl]phosphinic acid Openeye Name: (3-hydroxy-2,2-dimethyl-propoxy)-[4-methyl-6-(3-nitrophenyl)-2-oxo-cyclohex-3-en-1-yl]phosphinic acid CAS Name: (3-hydroxy-2,2-dimethylpropoxy)-[4-methyl-6-(3-nitrophenyl)-2-oxo-1-cyclohex-3-enyl]phosphinic acid IUPAC Name: (3-hydroxy-2,2-dimethylpropoxy)-[4-methyl-6-(3-nitrophenyl)-2-oxocyclohex-3-en-1-yl]phosphinic acid Traditional Name: (3-hydroxy-2,2-dimethyl-propoxy)-[2-keto-4-methyl-6-(3-nitrophenyl)cyclohex-3-en-1-yl]phosphinic acid Formula: C18H24NO7P MolecularWeight: 397.359421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(C1)C2=CC(=CC=C2)[N+](=O)[O-])P(=O)(O)OCC(C)(C)CO

Isomeric SMILES

CC1=CC(=O)C(C(C1)C2=CC(=CC=C2)[N+](=O)[O-])P(=O)(O)OCC(C)(C)CO

InChI

InChI=1S/C18H24NO7P/c1-12-7-15(13-5-4-6-14(9-13)19(22)23)17(16(21)8-12)27(24,25)26-11-18(2,3)10-20/h4-6,8-9,15,17,20H,7,10-11H2,1-3H3,(H,24,25)