[4-[4-[3-methanoyl-4-(3-methylbut-2-enylsulfanyl)-5-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-[3-methanoyl-4-(3-methylbut-2-enylsulfanyl)-5-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[3-formyl-4-(3-methylbut-2-enylsulfanyl)-5-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[3-formyl-4-(3-methylbut-2-enylthio)-5-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-[3-formyl-4-(3-methylbut-2-enylsulfanyl)-5-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[3-formyl-4-(3-methylbut-2-enylthio)-5-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C29H32O12S4 MolecularWeight: 700.81718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=C(C=C(C=C1OS(=O)(=O)C)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)C=O)C

Isomeric SMILES

CC(=CCSC1=C(C=C(C=C1OS(=O)(=O)C)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)C=O)C

InChI

InChI=1S/C29H32O12S4/c1-18(2)12-13-42-29-21(17-30)14-20(15-25(29)40-44(6,33)34)26-24(37-3)16-23(27(38-4)28(26)41-45(7,35)36)19-8-10-22(11-9-19)39-43(5,31)32/h8-12,14-17H,13H2,1-7H3