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

Systemtic Name: 2-methyl-1,5-dinitro-3-(phenylmethylsulfanyl)benzene Openeye Name: 1-benzylsulfanyl-2-methyl-3,5-dinitro-benzene CAS Name: 2-methyl-1,5-dinitro-3-(phenylmethylthio)benzene IUPAC Name: 1-benzylsulfanyl-2-methyl-3,5-dinitrobenzene Traditional Name: 1-(benzylthio)-2-methyl-3,5-dinitro-benzene Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1SCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1SCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4S/c1-10-13(16(19)20)7-12(15(17)18)8-14(10)21-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3