5,7-dimethyl-6-(nitromethylsulfanyl)-3,4-dihydro-1,2-benzoxathiine

Systemtic Name: 5,7-dimethyl-6-(nitromethylsulfanyl)-3,4-dihydro-1,2-benzoxathiine Openeye Name: 5,7-dimethyl-6-(nitromethylsulfanyl)-3,4-dihydro-1,2-benzoxathiine CAS Name: 5,7-dimethyl-6-(nitromethylthio)-3,4-dihydro-1,2-benzoxathiin IUPAC Name: 5,7-dimethyl-6-(nitromethylsulfanyl)-3,4-dihydro-1,2-benzoxathiine Traditional Name: 5,7-dimethyl-6-(nitromethylthio)-3,4-dihydro-1,2-benzoxathiin Formula: C11H13NO3S2 MolecularWeight: 271.35582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCSO2)C(=C1SC[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(CCSO2)C(=C1SC[N+](=O)[O-])C

InChI

InChI=1S/C11H13NO3S2/c1-7-5-10-9(3-4-17-15-10)8(2)11(7)16-6-12(13)14/h5H,3-4,6H2,1-2H3