2-azanyl-2-ethyl-propane-1,3-diol; (4-nitronaphthalen-1-yl) phosphate

Systemtic Name: 2-azanyl-2-ethyl-propane-1,3-diol; (4-nitronaphthalen-1-yl) phosphate Openeye Name: 2-amino-2-ethyl-propane-1,3-diol; (4-nitro-1-naphthyl) phosphate CAS Name: 2-amino-2-ethylpropane-1,3-diol; (4-nitro-1-naphthalenyl) phosphate IUPAC Name: 2-amino-2-ethylpropane-1,3-diol; (4-nitronaphthalen-1-yl) phosphate Traditional Name: 2-amino-2-ethyl-propane-1,3-diol; (4-nitro-1-naphthyl) phosphate Formula: C20H32N3O10P-2 MolecularWeight: 505.455941

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)N.CCC(CO)(CO)N.C1=CC=C2C(=C1)C(=CC=C2OP(=O)([O-])[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(CO)(CO)N.CCC(CO)(CO)N.C1=CC=C2C(=C1)C(=CC=C2OP(=O)([O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H8NO6P.2C5H13NO2/c12-11(13)9-5-6-10(17-18(14,15)16)8-4-2-1-3-7(8)9;2*1-2-5(6,3-7)4-8/h1-6H,(H2,14,15,16);2*7-8H,2-4,6H2,1H3/p-2