dicyclohexylazanium; (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phosphonato-ethanoic acid

Systemtic Name: dicyclohexylazanium; (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phosphonato-ethanoic acid Openeye Name: dicyclohexylammonium; (2E)-2-[(2,4-dinitrophenyl)hydrazono]-2-phosphonato-acetic acid CAS Name: dicyclohexylammonium; (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phosphonatoacetic acid IUPAC Name: dicyclohexylazanium; (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phosphonatoacetic acid Traditional Name: dicyclohexylammonium; (2E)-2-[(2,4-dinitrophenyl)hydrazono]-2-phosphonato-acetic acid Formula: C32H53N6O9P MolecularWeight: 696.771781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H23N.C8H7N4O9P/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;13-8(14)7(22(19,20)21)10-9-5-2-1-4(11(15)16)3-6(5)12(17)18/h2*11-13H,1-10H2;1-3,9H,(H,13,14)(H2,19,20,21)/b;;10-7+