4-[(4-chlorophenyl)methylsulfanyl]-2,6-dinitro-phenol

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-2,6-dinitro-phenol Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-2,6-dinitro-phenol CAS Name: 4-[(4-chlorophenyl)methylthio]-2,6-dinitrophenol IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-2,6-dinitrophenol Traditional Name: 4-[(4-chlorobenzyl)thio]-2,6-dinitro-phenol Formula: C13H9ClN2O5S MolecularWeight: 340.73896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2O5S/c14-9-3-1-8(2-4-9)7-22-10-5-11(15(18)19)13(17)12(6-10)16(20)21/h1-6,17H,7H2