tert-butyl 6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxyhexanoate

Systemtic Name: tert-butyl 6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxyhexanoate Openeye Name: tert-butyl 6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxo-cyclopent-2-en-1-yl]oxyhexanoate CAS Name: 6-[[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxo-1-cyclopent-2-enyl]oxy]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxocyclopent-2-en-1-yl]oxyhexanoate Traditional Name: 6-[(1R,5R)-5-hexyl-4-keto-2-oct-1-ynyl-cyclopent-2-en-1-yl]oxyhexanoic acid tert-butyl ester Formula: C29H48O4 MolecularWeight: 460.68902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=O)C(C1OCCCCCC(=O)OC(C)(C)C)CCCCCC

Isomeric SMILES

CCCCCCC#CC1=CC(=O)[C@@H]([C@H]1OCCCCCC(=O)OC(C)(C)C)CCCCCC

InChI

InChI=1S/C29H48O4/c1-6-8-10-12-13-15-19-24-23-26(30)25(20-16-11-9-7-2)28(24)32-22-18-14-17-21-27(31)33-29(3,4)5/h23,25,28H,6-14,16-18,20-22H2,1-5H3/t25-,28-/m0/s1