1,3,5-trinitro-2-[(4-nitrophenyl)methylsulfanyl]benzene

Systemtic Name: 1,3,5-trinitro-2-[(4-nitrophenyl)methylsulfanyl]benzene Openeye Name: 1,3,5-trinitro-2-[(4-nitrophenyl)methylsulfanyl]benzene CAS Name: 1,3,5-trinitro-2-[(4-nitrophenyl)methylthio]benzene IUPAC Name: 1,3,5-trinitro-2-[(4-nitrophenyl)methylsulfanyl]benzene Traditional Name: 1,3,5-trinitro-2-[(4-nitrobenzyl)thio]benzene Formula: C13H8N4O8S MolecularWeight: 380.28962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O8S/c18-14(19)9-3-1-8(2-4-9)7-26-13-11(16(22)23)5-10(15(20)21)6-12(13)17(24)25/h1-6H,7H2