1-methyl-2-(6-methyl-2,3-dinitro-phenyl)sulfanyl-3,4-dinitro-benzene

Systemtic Name: 1-methyl-2-(6-methyl-2,3-dinitro-phenyl)sulfanyl-3,4-dinitro-benzene Openeye Name: 1-methyl-2-(6-methyl-2,3-dinitro-phenyl)sulfanyl-3,4-dinitro-benzene CAS Name: 1-methyl-2-[(6-methyl-2,3-dinitrophenyl)thio]-3,4-dinitrobenzene IUPAC Name: 1-methyl-2-(6-methyl-2,3-dinitrophenyl)sulfanyl-3,4-dinitrobenzene Traditional Name: 1-methyl-2-[(6-methyl-2,3-dinitro-phenyl)thio]-3,4-dinitro-benzene Formula: C14H10N4O8S MolecularWeight: 394.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O8S/c1-7-3-5-9(15(19)20)11(17(23)24)13(7)27-14-8(2)4-6-10(16(21)22)12(14)18(25)26/h3-6H,1-2H3