dicyclohexylazanium; 2-diethoxyphosphoryl-4-methyl-4-nitro-pentanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-4-methyl-4-nitro-pentanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-methyl-4-nitro-pentanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-methyl-4-nitropentanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-4-methyl-4-nitropentanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-methyl-4-nitro-valerate Formula: C22H43N2O7P MolecularWeight: 478.559781

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC(C)(C)[N+](=O)[O-])C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CC(C)(C)[N+](=O)[O-])C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C10H20NO7P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-17-19(16,18-6-2)8(9(12)13)7-10(3,4)11(14)15/h11-13H,1-10H2;8H,5-7H2,1-4H3,(H,12,13)