N-[2-(4-hydroxyphenyl)ethyl]-2,4,6-trinitro-benzenesulfonamide

Systemtic Name: N-[2-(4-hydroxyphenyl)ethyl]-2,4,6-trinitro-benzenesulfonamide Openeye Name: N-[2-(4-hydroxyphenyl)ethyl]-2,4,6-trinitro-benzenesulfonamide CAS Name: N-[2-(4-hydroxyphenyl)ethyl]-2,4,6-trinitrobenzenesulfonamide IUPAC Name: N-[2-(4-hydroxyphenyl)ethyl]-2,4,6-trinitrobenzenesulfonamide Traditional Name: N-[2-(4-hydroxyphenyl)ethyl]-2,4,6-trinitro-benzenesulfonamide Formula: C14H12N4O9S MolecularWeight: 412.33148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNS(=O)(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1CCNS(=O)(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C14H12N4O9S/c19-11-3-1-9(2-4-11)5-6-15-28(26,27)14-12(17(22)23)7-10(16(20)21)8-13(14)18(24)25/h1-4,7-8,15,19H,5-6H2