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

Systemtic Name: [4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] ester IUPAC Name: [4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-phenyl]phenyl] ester Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O5S/c1-18(2)13-14-31-26-12-9-22(17-27(26)30-5)25-16-19(3)24(15-20(25)4)21-7-10-23(11-8-21)32-33(6,28)29/h7-13,15-17H,14H2,1-6H3