2-(4-methylphenoxy)-5-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]sulfonyl-benzenesulfonic acid

Systemtic Name: 2-(4-methylphenoxy)-5-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]sulfonyl-benzenesulfonic acid Openeye Name: 2-(4-methylphenoxy)-5-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]sulfonyl-benzenesulfonic acid CAS Name: 2-(4-methylphenoxy)-5-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]sulfonylbenzenesulfonic acid IUPAC Name: 2-(4-methylphenoxy)-5-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]sulfonylbenzenesulfonic acid Traditional Name: 5-[4-(4-mesyl-2-nitro-phenoxy)phenyl]sulfonyl-2-(4-methylphenoxy)besylic acid Formula: C26H21NO11S3 MolecularWeight: 619.64004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C26H21NO11S3/c1-17-3-5-18(6-4-17)38-25-14-12-22(16-26(25)41(34,35)36)40(32,33)20-9-7-19(8-10-20)37-24-13-11-21(39(2,30)31)15-23(24)27(28)29/h3-16H,1-2H3,(H,34,35,36)