1-[4-[[4-(2,4-dinitrophenyl)sulfanylphenyl]methyl]phenyl]sulfanyl-2,4-dinitro-benzene

Systemtic Name: 1-[4-[[4-(2,4-dinitrophenyl)sulfanylphenyl]methyl]phenyl]sulfanyl-2,4-dinitro-benzene Openeye Name: 1-[4-[[4-(2,4-dinitrophenyl)sulfanylphenyl]methyl]phenyl]sulfanyl-2,4-dinitro-benzene CAS Name: 1-[[4-[[4-[(2,4-dinitrophenyl)thio]phenyl]methyl]phenyl]thio]-2,4-dinitrobenzene IUPAC Name: 1-[4-[[4-(2,4-dinitrophenyl)sulfanylphenyl]methyl]phenyl]sulfanyl-2,4-dinitrobenzene Traditional Name: 1-[[4-[4-[(2,4-dinitrophenyl)thio]benzyl]phenyl]thio]-2,4-dinitro-benzene Formula: C25H16N4O8S2 MolecularWeight: 564.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H16N4O8S2/c30-26(31)18-5-11-24(22(14-18)28(34)35)38-20-7-1-16(2-8-20)13-17-3-9-21(10-4-17)39-25-12-6-19(27(32)33)15-23(25)29(36)37/h1-12,14-15H,13H2