tert-butyl 5-[(1S,5R)-5-heptyl-2-iodanyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxypentanoate

Systemtic Name: tert-butyl 5-[(1S,5R)-5-heptyl-2-iodanyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxypentanoate Openeye Name: tert-butyl 5-[(1S,5R)-5-heptyl-2-iodo-4-oxo-cyclopent-2-en-1-yl]oxypentanoate CAS Name: 5-[[(1S,5R)-5-heptyl-2-iodo-4-oxo-1-cyclopent-2-enyl]oxy]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(1S,5R)-5-heptyl-2-iodo-4-oxocyclopent-2-en-1-yl]oxypentanoate Traditional Name: 5-[(1S,5R)-5-heptyl-2-iodo-4-keto-cyclopent-2-en-1-yl]oxyvaleric acid tert-butyl ester Formula: C21H35IO4 MolecularWeight: 478.40467

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C(=CC1=O)I)OCCCCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC[C@@H]1[C@@H](C(=CC1=O)I)OCCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C21H35IO4/c1-5-6-7-8-9-12-16-18(23)15-17(22)20(16)25-14-11-10-13-19(24)26-21(2,3)4/h15-16,20H,5-14H2,1-4H3/t16-,20-/m0/s1