7-acetyloxy-3-(nitromethyl)-3,4-dihydro-1,2-benzodithiine-6-carboxylic acid

Systemtic Name: 7-acetyloxy-3-(nitromethyl)-3,4-dihydro-1,2-benzodithiine-6-carboxylic acid Openeye Name: 7-acetoxy-3-(nitromethyl)-3,4-dihydro-1,2-benzodithiine-6-carboxylic acid CAS Name: 7-acetyloxy-3-(nitromethyl)-3,4-dihydro-1,2-benzodithiin-6-carboxylic acid IUPAC Name: 7-acetyloxy-3-(nitromethyl)-3,4-dihydro-1,2-benzodithiine-6-carboxylic acid Traditional Name: 7-acetoxy-3-(nitromethyl)-3,4-dihydro-1,2-benzodithiin-6-carboxylic acid Formula: C12H11NO6S2 MolecularWeight: 329.34884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(CC(SS2)C[N+](=O)[O-])C=C1C(=O)O

Isomeric SMILES

CC(=O)OC1=CC2=C(CC(SS2)C[N+](=O)[O-])C=C1C(=O)O

InChI

InChI=1S/C12H11NO6S2/c1-6(14)19-10-4-11-7(3-9(10)12(15)16)2-8(20-21-11)5-13(17)18/h3-4,8H,2,5H2,1H3,(H,15,16)