2-methyl-1-(2-methylpropylsulfanyl)-3,5-dinitro-benzene

Systemtic Name: 2-methyl-1-(2-methylpropylsulfanyl)-3,5-dinitro-benzene Openeye Name: 1-isobutylsulfanyl-2-methyl-3,5-dinitro-benzene CAS Name: 2-methyl-1-(2-methylpropylthio)-3,5-dinitrobenzene IUPAC Name: 2-methyl-1-(2-methylpropylsulfanyl)-3,5-dinitrobenzene Traditional Name: 1-(isobutylthio)-2-methyl-3,5-dinitro-benzene Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1SCC(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1SCC(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4S/c1-7(2)6-18-11-5-9(12(14)15)4-10(8(11)3)13(16)17/h4-5,7H,6H2,1-3H3