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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48O4/c1-5-7-9-11-13-15-19-25-23-27(30)26(20-16-12-10-8-6-2)29(25)32-22-18-14-17-21-28(31)33-24(3)4/h23-24,26,29H,5-14,16-18,20-22H2,1-4H3/t26-,29-/m0/s1