4-methyl-3-nitro-5-[nitro(phenyl)methyl]-2,3-dihydrothiophene 1,1-dioxide

Systemtic Name: 4-methyl-3-nitro-5-[nitro(phenyl)methyl]-2,3-dihydrothiophene 1,1-dioxide Openeye Name: 4-methyl-3-nitro-5-[nitro(phenyl)methyl]-2,3-dihydrothiophene 1,1-dioxide CAS Name: 4-methyl-3-nitro-5-[nitro(phenyl)methyl]-2,3-dihydrothiophene 1,1-dioxide IUPAC Name: 4-methyl-3-nitro-5-[nitro(phenyl)methyl]-2,3-dihydrothiophene 1,1-dioxide Traditional Name: 4-methyl-3-nitro-5-[nitro(phenyl)methyl]-2,3-dihydrothiophene 1,1-dioxide Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(S(=O)(=O)CC1[N+](=O)[O-])C(C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(S(=O)(=O)CC1[N+](=O)[O-])C(C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6S/c1-8-10(13(15)16)7-21(19,20)12(8)11(14(17)18)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3