[4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxy-phenyl] benzenesulfonate

Systemtic Name: [4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxy-phenyl] benzenesulfonate Openeye Name: [4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxyphenyl] ester IUPAC Name: [4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-methylsulfonyloxy-phenyl] ester Formula: C29H28O14S4 MolecularWeight: 728.78422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C29H28O14S4/c1-38-26-18-23(19-11-14-21(15-12-19)40-44(3,30)31)28(39-2)29(43-46(5,34)35)27(26)20-13-16-24(25(17-20)41-45(4,32)33)42-47(36,37)22-9-7-6-8-10-22/h6-18H,1-5H3