1-chloranyl-2-(2-methylpropylsulfanylmethyl)-4-nitro-benzene

Systemtic Name: 1-chloranyl-2-(2-methylpropylsulfanylmethyl)-4-nitro-benzene Openeye Name: 1-chloro-2-(isobutylsulfanylmethyl)-4-nitro-benzene CAS Name: 1-chloro-2-[(2-methylpropylthio)methyl]-4-nitrobenzene IUPAC Name: 1-chloro-2-(2-methylpropylsulfanylmethyl)-4-nitrobenzene Traditional Name: 1-chloro-2-[(isobutylthio)methyl]-4-nitro-benzene Formula: C11H14ClNO2S MolecularWeight: 259.75236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CSCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H14ClNO2S/c1-8(2)6-16-7-9-5-10(13(14)15)3-4-11(9)12/h3-5,8H,6-7H2,1-2H3