tert-butyl (2E,6Z)-3,7,11-trimethyl-4-phenylsulfanyl-dodeca-2,6,10-trienoate

Systemtic Name: tert-butyl (2E,6Z)-3,7,11-trimethyl-4-phenylsulfanyl-dodeca-2,6,10-trienoate Openeye Name: tert-butyl (2E,6Z)-3,7,11-trimethyl-4-phenylsulfanyl-dodeca-2,6,10-trienoate CAS Name: (2E,6Z)-3,7,11-trimethyl-4-(phenylthio)dodeca-2,6,10-trienoic acid tert-butyl ester IUPAC Name: tert-butyl (2E,6Z)-3,7,11-trimethyl-4-phenylsulfanyldodeca-2,6,10-trienoate Traditional Name: (2E,6Z)-3,7,11-trimethyl-4-(phenylthio)dodeca-2,6,10-trienoic acid tert-butyl ester Formula: C25H36O2S MolecularWeight: 400.61714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCC(C(=CC(=O)OC(C)(C)C)C)SC1=CC=CC=C1)C)C

Isomeric SMILES

CC(=CCC/C(=C\CC(/C(=C/C(=O)OC(C)(C)C)/C)SC1=CC=CC=C1)/C)C

InChI

InChI=1S/C25H36O2S/c1-19(2)12-11-13-20(3)16-17-23(28-22-14-9-8-10-15-22)21(4)18-24(26)27-25(5,6)7/h8-10,12,14-16,18,23H,11,13,17H2,1-7H3/b20-16-,21-18+