1,3-dinitro-2-(2-nitro-6-propylsulfanyl-phenyl)benzene

Systemtic Name: 1,3-dinitro-2-(2-nitro-6-propylsulfanyl-phenyl)benzene Openeye Name: 1,3-dinitro-2-(2-nitro-6-propylsulfanyl-phenyl)benzene CAS Name: 1,3-dinitro-2-[2-nitro-6-(propylthio)phenyl]benzene IUPAC Name: 1,3-dinitro-2-(2-nitro-6-propylsulfanylphenyl)benzene Traditional Name: 1,3-dinitro-2-[2-nitro-6-(propylthio)phenyl]benzene Formula: C15H13N3O6S MolecularWeight: 363.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC(=C1C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCSC1=CC=CC(=C1C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6S/c1-2-9-25-13-8-4-7-12(18(23)24)15(13)14-10(16(19)20)5-3-6-11(14)17(21)22/h3-8H,2,9H2,1H3