dicyclohexylazanium; 2-diethoxyphosphoryl-4-nitro-butanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-4-nitro-butanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-nitro-butanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-nitrobutanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-4-nitrobutanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-nitro-butyrate Formula: C20H39N2O7P MolecularWeight: 450.506621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N.C8H16NO7P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-15-17(14,16-4-2)7(8(10)11)5-6-9(12)13/h11-13H,1-10H2;7H,3-6H2,1-2H3,(H,10,11)