2-chloranyl-1-(2-methylpentan-2-ylsulfanyl)-4-nitro-benzene

Systemtic Name: 2-chloranyl-1-(2-methylpentan-2-ylsulfanyl)-4-nitro-benzene Openeye Name: 2-chloro-1-(1,1-dimethylbutylsulfanyl)-4-nitro-benzene CAS Name: 2-chloro-1-(2-methylpentan-2-ylthio)-4-nitrobenzene IUPAC Name: 2-chloro-1-(2-methylpentan-2-ylsulfanyl)-4-nitrobenzene Traditional Name: 2-chloro-1-(1,1-dimethylbutylthio)-4-nitro-benzene Formula: C12H16ClNO2S MolecularWeight: 273.77894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)SC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(C)(C)SC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H16ClNO2S/c1-4-7-12(2,3)17-11-6-5-9(14(15)16)8-10(11)13/h5-6,8H,4,7H2,1-3H3