2,4-dimethyl-1-(nitromethylsulfanyl)benzene

Systemtic Name: 2,4-dimethyl-1-(nitromethylsulfanyl)benzene Openeye Name: 2,4-dimethyl-1-(nitromethylsulfanyl)benzene CAS Name: 2,4-dimethyl-1-(nitromethylthio)benzene IUPAC Name: 2,4-dimethyl-1-(nitromethylsulfanyl)benzene Traditional Name: 2,4-dimethyl-1-(nitromethylthio)benzene Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2S/c1-7-3-4-9(8(2)5-7)13-6-10(11)12/h3-5H,6H2,1-2H3