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

Systemtic Name: [4-[2,5-diethoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[2,5-diethoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-diethoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[2,5-diethoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2,5-diethoxy-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C30H36O12S3 MolecularWeight: 684.79464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OCC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC=C(C)C)OS(=O)(=O)C

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OCC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC=C(C)C)OS(=O)(=O)C

InChI

InChI=1S/C30H36O12S3/c1-8-37-27-19-24(21-10-13-23(14-11-21)40-43(5,31)32)29(38-9-2)30(42-45(7,35)36)28(27)22-12-15-25(39-17-16-20(3)4)26(18-22)41-44(6,33)34/h10-16,18-19H,8-9,17H2,1-7H3