hexyl (E)-7-[(1R,5S)-2-oxidanylidene-5-(4-oxidanyl-4-prop-1-ynyl-octyl)cyclopentyl]hept-2-enoate

Systemtic Name: hexyl (E)-7-[(1R,5S)-2-oxidanylidene-5-(4-oxidanyl-4-prop-1-ynyl-octyl)cyclopentyl]hept-2-enoate Openeye Name: hexyl (E)-7-[(1R,2S)-2-(4-hydroxy-4-prop-1-ynyl-octyl)-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2S)-2-(4-hydroxy-4-prop-1-ynyloctyl)-5-oxocyclopentyl]-2-heptenoic acid hexyl ester IUPAC Name: hexyl (E)-7-[(1R,2S)-2-(4-hydroxy-4-prop-1-ynyloctyl)-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,2S)-2-(4-butyl-4-hydroxy-hept-5-ynyl)-5-keto-cyclopentyl]hept-2-enoic acid hexyl ester Formula: C29H48O4 MolecularWeight: 460.68902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C=CCCCCC1C(CCC1=O)CCCC(CCCC)(C#CC)O

Isomeric SMILES

CCCCCCOC(=O)/C=C/CCCC[C@@H]1[C@H](CCC1=O)CCCC(CCCC)(C#CC)O

InChI

InChI=1S/C29H48O4/c1-4-7-9-14-24-33-28(31)18-13-11-10-12-17-26-25(19-20-27(26)30)16-15-23-29(32,21-6-3)22-8-5-2/h13,18,25-26,32H,4-5,7-12,14-17,19-20,22-24H2,1-3H3/b18-13+/t25-,26+,29?/m0/s1