1,5-bis[(2,4-dinitrophenyl)sulfanyl]-2,4-dinitro-benzene

Systemtic Name: 1,5-bis[(2,4-dinitrophenyl)sulfanyl]-2,4-dinitro-benzene Openeye Name: 1,5-bis[(2,4-dinitrophenyl)sulfanyl]-2,4-dinitro-benzene CAS Name: 1,5-bis[(2,4-dinitrophenyl)thio]-2,4-dinitrobenzene IUPAC Name: 1,5-bis[(2,4-dinitrophenyl)sulfanyl]-2,4-dinitrobenzene Traditional Name: 1,5-bis[(2,4-dinitrophenyl)thio]-2,4-dinitro-benzene Formula: C18H8N6O12S2 MolecularWeight: 564.41912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H8N6O12S2/c25-19(26)9-1-3-15(11(5-9)21(29)30)37-17-8-18(14(24(35)36)7-13(17)23(33)34)38-16-4-2-10(20(27)28)6-12(16)22(31)32/h1-8H