2-azanyl-2-(hydroxymethyl)propane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate

Systemtic Name: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate Openeye Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate Traditional Name: 2-amino-2-methylol-propane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate Formula: C14H28N3O12P MolecularWeight: 461.358781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O

InChI

InChI=1S/C6H6NO6P.2C4H11NO3/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*5-4(1-6,2-7)3-8/h1-4H,(H2,10,11,12);2*6-8H,1-3,5H2