[4-[4-[3-bromanyl-4-(3-methylbut-2-enoxy)-5-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-[3-bromanyl-4-(3-methylbut-2-enoxy)-5-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[3-bromo-4-(3-methylbut-2-enoxy)-5-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[3-bromo-4-(3-methylbut-2-enoxy)-5-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-[3-bromo-4-(3-methylbut-2-enoxy)-5-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[3-bromo-4-(3-methylbut-2-enoxy)-5-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C28H31BrO12S3 MolecularWeight: 735.63754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=C(C=C1Br)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)OS(=O)(=O)C)C

Isomeric SMILES

CC(=CCOC1=C(C=C(C=C1Br)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)OS(=O)(=O)C)C

InChI

InChI=1S/C28H31BrO12S3/c1-17(2)12-13-38-27-22(29)14-19(15-24(27)40-43(6,32)33)25-23(36-3)16-21(26(37-4)28(25)41-44(7,34)35)18-8-10-20(11-9-18)39-42(5,30)31/h8-12,14-16H,13H2,1-7H3