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

Systemtic Name: 1-[(4-chlorophenyl)methylsulfanylmethyl]-2,4-dinitro-benzene Openeye Name: 1-[(4-chlorophenyl)methylsulfanylmethyl]-2,4-dinitro-benzene CAS Name: 1-[[(4-chlorophenyl)methylthio]methyl]-2,4-dinitrobenzene IUPAC Name: 1-[(4-chlorophenyl)methylsulfanylmethyl]-2,4-dinitrobenzene Traditional Name: 1-[[(4-chlorobenzyl)thio]methyl]-2,4-dinitro-benzene Formula: C14H11ClN2O4S MolecularWeight: 338.76614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN2O4S/c15-12-4-1-10(2-5-12)8-22-9-11-3-6-13(16(18)19)7-14(11)17(20)21/h1-7H,8-9H2