cyclohexanamine; (4-nitrophenyl) dihydrogen phosphate

Systemtic Name: cyclohexanamine; (4-nitrophenyl) dihydrogen phosphate Openeye Name: cyclohexanamine; (4-nitrophenyl) dihydrogen phosphate CAS Name: cyclohexanamine; (4-nitrophenyl) dihydrogen phosphate IUPAC Name: cyclohexanamine; (4-nitrophenyl) dihydrogen phosphate Traditional Name: cyclohexylamine; (4-nitrophenyl) dihydrogen phosphate Formula: C18H32N3O6P MolecularWeight: 423.436222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C1CCC(CC1)N.C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O

Isomeric SMILES

C1CCC(CC1)N.C1CCC(CC1)N.C1=CC(=CC=C1[N+](=O)[O-])OP(=[18O])([18OH])[18OH]

InChI

InChI=1S/C6H6NO6P.2C6H13N/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*7-6-4-2-1-3-5-6/h1-4H,(H2,10,11,12);2*6H,1-5,7H2/i10+2,11+2,12+2;;