2-methylsulfonyl-4,4,6-trinitro-cyclohexa-2,5-dien-1-amine

Systemtic Name: 2-methylsulfonyl-4,4,6-trinitro-cyclohexa-2,5-dien-1-amine Openeye Name: 2-methylsulfonyl-4,4,6-trinitro-cyclohexa-2,5-dien-1-amine CAS Name: 2-methylsulfonyl-4,4,6-trinitro-1-cyclohexa-2,5-dienamine IUPAC Name: 2-methylsulfonyl-4,4,6-trinitrocyclohexa-2,5-dien-1-amine Traditional Name: (2-mesyl-4,4,6-trinitro-cyclohexa-2,5-dien-1-yl)amine Formula: C7H8N4O8S MolecularWeight: 308.22542

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(C=C(C1N)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(C=C(C1N)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H8N4O8S/c1-20(18,19)5-3-7(10(14)15,11(16)17)2-4(6(5)8)9(12)13/h2-3,6H,8H2,1H3