dicyclohexylazanium; (2E)-2-[(2-methoxy-4-nitro-phenyl)hydrazinylidene]-2-phosphonato-ethanoic acid

Systemtic Name: dicyclohexylazanium; (2E)-2-[(2-methoxy-4-nitro-phenyl)hydrazinylidene]-2-phosphonato-ethanoic acid Openeye Name: dicyclohexylammonium; (2E)-2-[(2-methoxy-4-nitro-phenyl)hydrazono]-2-phosphonato-acetic acid CAS Name: dicyclohexylammonium; (2E)-2-[(2-methoxy-4-nitrophenyl)hydrazinylidene]-2-phosphonatoacetic acid IUPAC Name: dicyclohexylazanium; (2E)-2-[(2-methoxy-4-nitrophenyl)hydrazinylidene]-2-phosphonatoacetic acid Traditional Name: dicyclohexylammonium; (2E)-2-[(2-methoxy-4-nitro-phenyl)hydrazono]-2-phosphonato-acetic acid Formula: C33H56N5O8P MolecularWeight: 681.800201

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NN=C(C(=O)O)P(=O)([O-])[O-].C1CCC(CC1)[NH2+]C2CCCCC2.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])N/N=C(\C(=O)O)/P(=O)([O-])[O-].C1CCC(CC1)[NH2+]C2CCCCC2.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/2C12H23N.C9H10N3O8P/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-20-7-4-5(12(15)16)2-3-6(7)10-11-8(9(13)14)21(17,18)19/h2*11-13H,1-10H2;2-4,10H,1H3,(H,13,14)(H2,17,18,19)/b;;11-8+