5-nitro-2-[4-[2-[4-(4-nitro-2-sulfonato-phenoxy)phenyl]propan-2-yl]phenoxy]benzenesulfonate

Systemtic Name: 5-nitro-2-[4-[2-[4-(4-nitro-2-sulfonato-phenoxy)phenyl]propan-2-yl]phenoxy]benzenesulfonate Openeye Name: 2-[4-[1-methyl-1-[4-(4-nitro-2-sulfonato-phenoxy)phenyl]ethyl]phenoxy]-5-nitro-benzenesulfonate CAS Name: 5-nitro-2-[4-[2-[4-(4-nitro-2-sulfonatophenoxy)phenyl]propan-2-yl]phenoxy]benzenesulfonate IUPAC Name: 5-nitro-2-[4-[2-[4-(4-nitro-2-sulfonatophenoxy)phenyl]propan-2-yl]phenoxy]benzenesulfonate Traditional Name: 2-[4-[1-methyl-1-[4-(4-nitro-2-sulfonato-phenoxy)phenyl]ethyl]phenoxy]-5-nitro-besylate Formula: C27H20N2O12S2-2 MolecularWeight: 628.5839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O12S2/c1-27(2,17-3-9-21(10-4-17)40-23-13-7-19(28(30)31)15-25(23)42(34,35)36)18-5-11-22(12-6-18)41-24-14-8-20(29(32)33)16-26(24)43(37,38)39/h3-16H,1-2H3,(H,34,35,36)(H,37,38,39)/p-2