6,6-dimethyl-3-methylsulfanyl-1-nitro-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-1-nitro-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-methylsulfanyl-1-nitro-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(methylthio)-1-nitro-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-methylsulfanyl-1-nitro-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-(methylthio)-1-nitro-5,7-dihydroisobenzothiophen-4-one Formula: C11H13NO3S2 MolecularWeight: 271.35582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)[N+](=O)[O-])C

InChI

InChI=1S/C11H13NO3S2/c1-11(2)4-6-8(7(13)5-11)10(16-3)17-9(6)12(14)15/h4-5H2,1-3H3