[4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyl-oct-5-enyl]-2,6-dimethyl-phenyl] methanesulfonate

Systemtic Name: [4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyl-oct-5-enyl]-2,6-dimethyl-phenyl] methanesulfonate Openeye Name: [4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyl-oct-5-enyl]-2,6-dimethyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenyl] ester IUPAC Name: [4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyloct-5-enyl]-2,6-dimethylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(E)-8-(3,5-dimethoxyphenyl)-5-methyl-oct-5-enyl]-2,6-dimethyl-phenyl] ester Formula: C26H36O5S MolecularWeight: 460.62604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)C)C)CCCCC(=CCCC2=CC(=CC(=C2)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)C)C)CCCC/C(=C/CCC2=CC(=CC(=C2)OC)OC)/C

InChI

InChI=1S/C26H36O5S/c1-19(11-9-13-23-16-24(29-4)18-25(17-23)30-5)10-7-8-12-22-14-20(2)26(21(3)15-22)31-32(6,27)28/h11,14-18H,7-10,12-13H2,1-6H3/b19-11+