1,3-dimethyl-2-(nitromethylsulfonyl)-5-(sulfinoamino)benzene

Systemtic Name: 1,3-dimethyl-2-(nitromethylsulfonyl)-5-(sulfinoamino)benzene Openeye Name: 1,3-dimethyl-2-(nitromethylsulfonyl)-5-(sulfinoamino)benzene CAS Name: 1,3-dimethyl-2-(nitromethylsulfonyl)-5-(sulfinoamino)benzene IUPAC Name: 1,3-dimethyl-2-(nitromethylsulfonyl)-5-(sulfinoamino)benzene Traditional Name: 1,3-dimethyl-2-(nitromethylsulfonyl)-5-(sulfinoamino)benzene Formula: C9H12N2O6S2 MolecularWeight: 308.33138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)O

InChI

InChI=1S/C9H12N2O6S2/c1-6-3-8(10-18(14)15)4-7(2)9(6)19(16,17)5-11(12)13/h3-4,10H,5H2,1-2H3,(H,14,15)