[(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 4-methylbenzenesulfonate Openeye Name: [(2E,6E)-2,6-dimethyl-8-tetrahydropyran-2-yloxy-octa-2,6-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2E,6E)-2,6-dimethyl-8-(2-oxanyloxy)octa-2,6-dienyl] ester IUPAC Name: [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2E,6E)-2,6-dimethyl-8-tetrahydropyran-2-yloxy-octa-2,6-dienyl] ester Formula: C22H32O5S MolecularWeight: 408.55148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=CCCC(=CCOC2CCCCO2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC/C(=C/CC/C(=C/COC2CCCCO2)/C)/C

InChI

InChI=1S/C22H32O5S/c1-18(14-16-26-22-9-4-5-15-25-22)7-6-8-20(3)17-27-28(23,24)21-12-10-19(2)11-13-21/h8,10-14,22H,4-7,9,15-17H2,1-3H3/b18-14+,20-8+