5-methylsulfonyl-2-[4-[4-(4-methylsulfonyl-2,6-dinitro-phenoxy)phenyl]sulfonylphenoxy]-1,3-dinitro-benzene

Systemtic Name: 5-methylsulfonyl-2-[4-[4-(4-methylsulfonyl-2,6-dinitro-phenoxy)phenyl]sulfonylphenoxy]-1,3-dinitro-benzene Openeye Name: 5-methylsulfonyl-2-[4-[4-(4-methylsulfonyl-2,6-dinitro-phenoxy)phenyl]sulfonylphenoxy]-1,3-dinitro-benzene CAS Name: 5-methylsulfonyl-2-[4-[4-(4-methylsulfonyl-2,6-dinitrophenoxy)phenyl]sulfonylphenoxy]-1,3-dinitrobenzene IUPAC Name: 5-methylsulfonyl-2-[4-[4-(4-methylsulfonyl-2,6-dinitrophenoxy)phenyl]sulfonylphenoxy]-1,3-dinitrobenzene Traditional Name: 5-mesyl-2-[4-[4-(4-mesyl-2,6-dinitro-phenoxy)phenyl]sulfonylphenoxy]-1,3-dinitro-benzene Formula: C26H18N4O16S3 MolecularWeight: 738.63332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H18N4O16S3/c1-47(39,40)19-11-21(27(31)32)25(22(12-19)28(33)34)45-15-3-7-17(8-4-15)49(43,44)18-9-5-16(6-10-18)46-26-23(29(35)36)13-20(48(2,41)42)14-24(26)30(37)38/h3-14H,1-2H3