hydrogen sulfate; 2-morpholin-4-ylethyl 2,2-dimethylpropanoate; 2,4,6-trinitrophenolate

Systemtic Name: hydrogen sulfate; 2-morpholin-4-ylethyl 2,2-dimethylpropanoate; 2,4,6-trinitrophenolate Openeye Name: hydrogen sulfate; 2-morpholinoethyl 2,2-dimethylpropanoate; 2,4,6-trinitrophenolate CAS Name: 2,2-dimethylpropanoic acid 2-(4-morpholinyl)ethyl ester; hydrogen sulfate; 2,4,6-trinitrophenolate IUPAC Name: hydrogen sulfate; 2-morpholin-4-ylethyl 2,2-dimethylpropanoate; 2,4,6-trinitrophenolate Traditional Name: 2,2-dimethylpropionic acid 2-morpholinoethyl ester bisulfate picrate Formula: C17H24N4O14S-2 MolecularWeight: 540.45586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCN1CCOCC1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].OS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OCCN1CCOCC1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C11H21NO3.C6H3N3O7.H2O4S/c1-11(2,3)10(13)15-9-6-12-4-7-14-8-5-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-5(2,3)4/h4-9H2,1-3H3;1-2,10H;(H2,1,2,3,4)/p-2