dicyclohexylazanium; (2-nitrophenyl)methyl (2E)-2-hydroxyimino-2-phosphonato-ethanoate

Systemtic Name: dicyclohexylazanium; (2-nitrophenyl)methyl (2E)-2-hydroxyimino-2-phosphonato-ethanoate Openeye Name: dicyclohexylammonium; (2-nitrophenyl)methyl (2E)-2-hydroxyimino-2-phosphonato-acetate CAS Name: dicyclohexylammonium; (2E)-2-hydroxyimino-2-phosphonatoacetic acid (2-nitrophenyl)methyl ester IUPAC Name: dicyclohexylazanium; (2-nitrophenyl)methyl (2E)-2-hydroxyimino-2-phosphonatoacetate Traditional Name: dicyclohexylammonium; (2E)-2-hydroximino-2-phosphonato-acetic acid (2-nitrobenzyl) ester Formula: C33H55N4O8P MolecularWeight: 666.785561

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C(C(=C1)COC(=O)C(=NO)P(=O)([O-])[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C(C(=C1)COC(=O)/C(=N\O)/P(=O)([O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/2C12H23N.C9H9N2O8P/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;12-9(8(10-13)20(16,17)18)19-5-6-3-1-2-4-7(6)11(14)15/h2*11-13H,1-10H2;1-4,13H,5H2,(H2,16,17,18)/b;;10-8+