8-[[2-[(5,7-dinitroquinolin-8-yl)sulfanylmethyl]-4,5-dimethyl-phenyl]methylsulfanyl]-5,7-dinitro-quinoline

Systemtic Name: 8-[[2-[(5,7-dinitroquinolin-8-yl)sulfanylmethyl]-4,5-dimethyl-phenyl]methylsulfanyl]-5,7-dinitro-quinoline Openeye Name: 8-[[2-[(5,7-dinitro-8-quinolyl)sulfanylmethyl]-4,5-dimethyl-phenyl]methylsulfanyl]-5,7-dinitro-quinoline CAS Name: 8-[[2-[[(5,7-dinitro-8-quinolinyl)thio]methyl]-4,5-dimethylphenyl]methylthio]-5,7-dinitroquinoline IUPAC Name: 8-[[2-[(5,7-dinitroquinolin-8-yl)sulfanylmethyl]-4,5-dimethylphenyl]methylsulfanyl]-5,7-dinitroquinoline Traditional Name: 8-[[2-[[(5,7-dinitro-8-quinolyl)thio]methyl]-4,5-dimethyl-benzyl]thio]-5,7-dinitro-quinoline Formula: C28H20N6O8S2 MolecularWeight: 632.6238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CSC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-])CSC4=C(C=C(C5=C4N=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)CSC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-])CSC4=C(C=C(C5=C4N=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H20N6O8S2/c1-15-9-17(13-43-27-23(33(39)40)11-21(31(35)36)19-5-3-7-29-25(19)27)18(10-16(15)2)14-44-28-24(34(41)42)12-22(32(37)38)20-6-4-8-30-26(20)28/h3-12H,13-14H2,1-2H3