[2-(1-benzothiophen-3-yl)-2-oxidanyl-ethyl]-dimethyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: [2-(1-benzothiophen-3-yl)-2-oxidanyl-ethyl]-dimethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: [2-(benzothiophen-3-yl)-2-hydroxy-ethyl]-dimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: [2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-dimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: [2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-dimethylazanium; 2,4,6-trinitrophenolate Traditional Name: [2-(benzothiophen-3-yl)-2-hydroxy-ethyl]-dimethyl-ammonium picrate Formula: C18H18N4O8S MolecularWeight: 450.42252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CSC2=CC=CC=C21)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC(C1=CSC2=CC=CC=C21)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15NOS.C6H3N3O7/c1-13(2)7-11(14)10-8-15-12-6-4-3-5-9(10)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,8,11,14H,7H2,1-2H3;1-2,10H