[(3Z,6Z)-8-(2,2-dimethyl-1,3-dioxolan-4-yl)octa-3,6-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(3Z,6Z)-8-(2,2-dimethyl-1,3-dioxolan-4-yl)octa-3,6-dienyl] 4-methylbenzenesulfonate Openeye Name: [(3Z,6Z)-8-(2,2-dimethyl-1,3-dioxolan-4-yl)octa-3,6-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3Z,6Z)-8-(2,2-dimethyl-1,3-dioxolan-4-yl)octa-3,6-dienyl] ester IUPAC Name: [(3Z,6Z)-8-(2,2-dimethyl-1,3-dioxolan-4-yl)octa-3,6-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3Z,6Z)-8-(2,2-dimethyl-1,3-dioxolan-4-yl)octa-3,6-dienyl] ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC=CCC=CCC2COC(O2)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC/C=C\C/C=C\CC2COC(O2)(C)C

InChI

InChI=1S/C20H28O5S/c1-17-11-13-19(14-12-17)26(21,22)24-15-9-7-5-4-6-8-10-18-16-23-20(2,3)25-18/h5-8,11-14,18H,4,9-10,15-16H2,1-3H3/b7-5-,8-6-