[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-oxidanyl-phenyl]phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-oxidanyl-phenyl]phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,6-dimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,6-dimethylphenyl]phenyl] ester IUPAC Name: [4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,6-dimethylphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,6-dimethyl-phenyl]phenyl] ester Formula: C26H28O5S MolecularWeight: 452.56252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC=C(C=C2)OS(=O)(=O)C)C)C3=CC(=C(C=C3)OCC=C(C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC=C(C=C2)OS(=O)(=O)C)C)C3=CC(=C(C=C3)OCC=C(C)C)O

InChI

InChI=1S/C26H28O5S/c1-17(2)12-13-30-25-11-8-21(16-24(25)27)22-14-18(3)26(19(4)15-22)20-6-9-23(10-7-20)31-32(5,28)29/h6-12,14-16,27H,13H2,1-5H3