[(E)-but-2-enyl] [4-[(3,5-dimethylphenyl)methylsulfonyloxy]-3,5-dimethyl-phenyl]methanesulfonate

Systemtic Name: [(E)-but-2-enyl] [4-[(3,5-dimethylphenyl)methylsulfonyloxy]-3,5-dimethyl-phenyl]methanesulfonate Openeye Name: [(E)-but-2-enyl] [4-[(3,5-dimethylphenyl)methylsulfonyloxy]-3,5-dimethyl-phenyl]methanesulfonate CAS Name: [4-[(3,5-dimethylphenyl)methylsulfonyloxy]-3,5-dimethylphenyl]methanesulfonic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] [4-[(3,5-dimethylphenyl)methylsulfonyloxy]-3,5-dimethylphenyl]methanesulfonate Traditional Name: [4-(3,5-dimethylbenzyl)sulfonyloxy-3,5-dimethyl-phenyl]methanesulfonic acid [(E)-but-2-enyl] ester Formula: C22H28O6S2 MolecularWeight: 452.58412

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCOS(=O)(=O)CC1=CC(=C(C(=C1)C)OS(=O)(=O)CC2=CC(=CC(=C2)C)C)C

Isomeric SMILES

C/C=C/COS(=O)(=O)CC1=CC(=C(C(=C1)C)OS(=O)(=O)CC2=CC(=CC(=C2)C)C)C

InChI

InChI=1S/C22H28O6S2/c1-6-7-8-27-29(23,24)14-21-12-18(4)22(19(5)13-21)28-30(25,26)15-20-10-16(2)9-17(3)11-20/h6-7,9-13H,8,14-15H2,1-5H3/b7-6+