[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]-diethyl-azanium nitrate

Systemtic Name: [1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]-diethyl-azanium nitrate Openeye Name: (1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)-diethyl-ammonium nitrate CAS Name: (1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-diethylammonium nitrate IUPAC Name: (1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-diethylazanium nitrate Traditional Name: (1,1-diketo-2,3-dihydrobenzothiophen-3-yl)-diethyl-ammonium nitrate Formula: C12H18N2O5S MolecularWeight: 302.34672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CS(=O)(=O)C2=CC=CC=C12.[N+](=O)([O-])[O-]

Isomeric SMILES

CC[NH+](CC)C1CS(=O)(=O)C2=CC=CC=C12.[N+](=O)([O-])[O-]

InChI

InChI=1S/C12H17NO2S.NO3/c1-3-13(4-2)11-9-16(14,15)12-8-6-5-7-10(11)12;2-1(3)4/h5-8,11H,3-4,9H2,1-2H3;/q;-1/p+1