1-[bis(ethylsulfanyl)methyl]-3-nitro-benzene

Systemtic Name: 1-[bis(ethylsulfanyl)methyl]-3-nitro-benzene Openeye Name: 1-[bis(ethylsulfanyl)methyl]-3-nitro-benzene CAS Name: 1-[bis(ethylthio)methyl]-3-nitrobenzene IUPAC Name: 1-[bis(ethylsulfanyl)methyl]-3-nitrobenzene Traditional Name: 1-[bis(ethylthio)methyl]-3-nitro-benzene Formula: C11H15NO2S2 MolecularWeight: 257.3723

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC(=CC=C1)[N+](=O)[O-])SCC

Isomeric SMILES

CCSC(C1=CC(=CC=C1)[N+](=O)[O-])SCC

InChI

InChI=1S/C11H15NO2S2/c1-3-15-11(16-4-2)9-6-5-7-10(8-9)12(13)14/h5-8,11H,3-4H2,1-2H3