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

Systemtic Name: [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C28H32O10S3 MolecularWeight: 624.74268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)C)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC=C(C)C)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)C)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC=C(C)C)OS(=O)(=O)C

InChI

InChI=1S/C28H32O10S3/c1-18(2)14-15-35-25-13-10-22(17-26(25)37-40(6,31)32)27-19(3)16-24(20(4)28(27)38-41(7,33)34)21-8-11-23(12-9-21)36-39(5,29)30/h8-14,16-17H,15H2,1-7H3