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

Systemtic Name: 2-azanyl-2-ethyl-propane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate Openeye Name: 2-amino-2-ethyl-propane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate CAS Name: 2-amino-2-ethylpropane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate IUPAC Name: 2-amino-2-ethylpropane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate Traditional Name: 2-amino-2-ethyl-propane-1,3-diol; (4-nitrophenyl) dihydrogen phosphate Formula: C16H32N3O10P MolecularWeight: 457.413141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6NO6P.2C5H13NO2/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*1-2-5(6,3-7)4-8/h1-4H,(H2,10,11,12);2*7-8H,2-4,6H2,1H3