1-[(4-chlorophenyl)methylsulfanyl]-2,4-dinitro-benzene

Systemtic Name: 1-[(4-chlorophenyl)methylsulfanyl]-2,4-dinitro-benzene Openeye Name: 1-[(4-chlorophenyl)methylsulfanyl]-2,4-dinitro-benzene CAS Name: 1-[(4-chlorophenyl)methylthio]-2,4-dinitrobenzene IUPAC Name: 1-[(4-chlorophenyl)methylsulfanyl]-2,4-dinitrobenzene Traditional Name: 1-[(4-chlorobenzyl)thio]-2,4-dinitro-benzene Formula: C13H9ClN2O4S MolecularWeight: 324.73956

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2O4S/c14-10-3-1-9(2-4-10)8-21-13-6-5-11(15(17)18)7-12(13)16(19)20/h1-7H,8H2