methyl 3-acetyloxy-4,6-dinitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-acetyloxy-4,6-dinitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-acetoxy-4,6-dinitro-benzothiophene-2-carboxylate CAS Name: 3-acetyloxy-4,6-dinitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-acetyloxy-4,6-dinitro-1-benzothiophene-2-carboxylate Traditional Name: 3-acetoxy-4,6-dinitro-benzothiophene-2-carboxylic acid methyl ester Formula: C12H8N2O8S MolecularWeight: 340.26552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)OC1=C(SC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H8N2O8S/c1-5(15)22-10-9-7(14(19)20)3-6(13(17)18)4-8(9)23-11(10)12(16)21-2/h3-4H,1-2H3