[7-methyl-4-[2-(oxan-2-yloxy)ethyl]octa-4,5-dien-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [7-methyl-4-[2-(oxan-2-yloxy)ethyl]octa-4,5-dien-2-yl] 4-methylbenzenesulfonate Openeye Name: [1,6-dimethyl-3-(2-tetrahydropyran-2-yloxyethyl)hepta-3,4-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-methyl-4-[2-(2-oxanyloxy)ethyl]octa-4,5-dien-2-yl] ester IUPAC Name: [7-methyl-4-[2-(oxan-2-yloxy)ethyl]octa-4,5-dien-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1,6-dimethyl-3-(2-tetrahydropyran-2-yloxyethyl)hepta-3,4-dienyl] ester Formula: C23H34O5S MolecularWeight: 422.57806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC(=C=CC(C)C)CCOC2CCCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC(=C=CC(C)C)CCOC2CCCCO2

InChI

InChI=1S/C23H34O5S/c1-18(2)8-11-21(14-16-27-23-7-5-6-15-26-23)17-20(4)28-29(24,25)22-12-9-19(3)10-13-22/h8-10,12-13,18,20,23H,5-7,14-17H2,1-4H3