2-(4-methylphenyl)sulfanyl-1,3,5-trinitro-benzene

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1,3,5-trinitro-benzene Openeye Name: 1,3,5-trinitro-2-(p-tolylsulfanyl)benzene CAS Name: 2-[(4-methylphenyl)thio]-1,3,5-trinitrobenzene IUPAC Name: 2-(4-methylphenyl)sulfanyl-1,3,5-trinitrobenzene Traditional Name: 1,3,5-trinitro-2-(p-tolylthio)benzene Formula: C13H9N3O6S MolecularWeight: 335.29206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O6S/c1-8-2-4-10(5-3-8)23-13-11(15(19)20)6-9(14(17)18)7-12(13)16(21)22/h2-7H,1H3