S-tert-butyl 3-[(1R,4Z,8E,12S)-12-oxidanylcyclododeca-4,8-dien-1-yl]oxy-5-phenyl-pent-4-ynethioate

Systemtic Name: S-tert-butyl 3-[(1R,4Z,8E,12S)-12-oxidanylcyclododeca-4,8-dien-1-yl]oxy-5-phenyl-pent-4-ynethioate Openeye Name: S-tert-butyl 3-[(1R,4Z,8E,12S)-12-hydroxycyclododeca-4,8-dien-1-yl]oxy-5-phenyl-pent-4-ynethioate CAS Name: 3-[[(1R,4Z,8E,12S)-12-hydroxy-1-cyclododeca-4,8-dienyl]oxy]-5-phenyl-4-pentynethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-[(1R,4Z,8E,12S)-12-hydroxycyclododeca-4,8-dien-1-yl]oxy-5-phenylpent-4-ynethioate Traditional Name: 3-[(1R,4Z,8E,12S)-12-hydroxycyclododeca-4,8-dien-1-yl]oxy-5-phenyl-pent-4-ynethioic acid S-tert-butyl ester Formula: C27H36O3S MolecularWeight: 440.63794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(C#CC1=CC=CC=C1)OC2CCC=CCCC=CCCC2O

Isomeric SMILES

CC(C)(C)SC(=O)CC(C#CC1=CC=CC=C1)O[C@@H]2CC/C=C\CC/C=C/CC[C@@H]2O

InChI

InChI=1S/C27H36O3S/c1-27(2,3)31-26(29)21-23(20-19-22-15-11-10-12-16-22)30-25-18-14-9-7-5-4-6-8-13-17-24(25)28/h6-12,15-16,23-25,28H,4-5,13-14,17-18,21H2,1-3H3/b8-6+,9-7-/t23?,24-,25+/m0/s1