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

Systemtic Name: tert-butyl 6-[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxyhexanoate Openeye Name: tert-butyl 6-[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxo-cyclopent-2-en-1-yl]oxyhexanoate CAS Name: 6-[[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxo-1-cyclopent-2-enyl]oxy]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxocyclopent-2-en-1-yl]oxyhexanoate Traditional Name: 6-[(1S,5R)-5-heptyl-4-keto-2-oct-1-ynyl-cyclopent-2-en-1-yl]oxyhexanoic acid tert-butyl ester Formula: C30H50O4 MolecularWeight: 474.7156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C(=CC1=O)C#CCCCCCC)OCCCCCC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H50O4/c1-6-8-10-12-14-16-20-25-24-27(31)26(21-17-13-11-9-7-2)29(25)33-23-19-15-18-22-28(32)34-30(3,4)5/h24,26,29H,6-15,17-19,21-23H2,1-5H3/t26-,29+/m0/s1