[5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethanoyl-3-oxidanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethanoyl-3-oxidanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-acetyl-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-acetyl-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxyphenyl] ester IUPAC Name: [2-acetyl-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-acetyl-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxy-phenyl] ester Formula: C25H30O6S MolecularWeight: 458.5671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2C(=O)C)O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2C(=O)C)O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C25H30O6S/c1-17(2)7-6-8-18(3)13-14-30-21-15-23(27)25(20(5)26)24(16-21)31-32(28,29)22-11-9-19(4)10-12-22/h7,9-13,15-16,27H,6,8,14H2,1-5H3/b18-13+