5-nitro-2-[4-[2-[4-(4-nitro-2-sulfo-phenoxy)phenyl]propan-2-yl]phenoxy]benzenesulfonic acid

Systemtic Name: 5-nitro-2-[4-[2-[4-(4-nitro-2-sulfo-phenoxy)phenyl]propan-2-yl]phenoxy]benzenesulfonic acid Openeye Name: 2-[4-[1-methyl-1-[4-(4-nitro-2-sulfo-phenoxy)phenyl]ethyl]phenoxy]-5-nitro-benzenesulfonic acid CAS Name: 5-nitro-2-[4-[2-[4-(4-nitro-2-sulfophenoxy)phenyl]propan-2-yl]phenoxy]benzenesulfonic acid IUPAC Name: 5-nitro-2-[4-[2-[4-(4-nitro-2-sulfophenoxy)phenyl]propan-2-yl]phenoxy]benzenesulfonic acid Traditional Name: 2-[4-[1-methyl-1-[4-(4-nitro-2-sulfo-phenoxy)phenyl]ethyl]phenoxy]-5-nitro-besylic acid Formula: C27H22N2O12S2 MolecularWeight: 630.59978

Click to see the large picture

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)