2-(3-hydroxyphenyl)ethyl-trimethyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: 2-(3-hydroxyphenyl)ethyl-trimethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: 2-(3-hydroxyphenyl)ethyl-trimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: 2-(3-hydroxyphenyl)ethyl-trimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: 2-(3-hydroxyphenyl)ethyl-trimethylazanium; 2,4,6-trinitrophenolate Traditional Name: 2-(3-hydroxyphenyl)ethyl-trimethyl-ammonium picrate Formula: C17H20N4O8 MolecularWeight: 408.3627

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC1=CC(=CC=C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCC1=CC(=CC=C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H17NO.C6H3N3O7/c1-12(2,3)8-7-10-5-4-6-11(13)9-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-6,9H,7-8H2,1-3H3;1-2,10H