hexyl (E)-7-[(1R,2R,3R)-2-(4-ethynyl-4-oxidanyl-decyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoate

Systemtic Name: hexyl (E)-7-[(1R,2R,3R)-2-(4-ethynyl-4-oxidanyl-decyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoate Openeye Name: hexyl (E)-7-[(1R,2R,3R)-2-(4-ethynyl-4-hydroxy-decyl)-3-hydroxy-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2R,3R)-2-(4-ethynyl-4-hydroxydecyl)-3-hydroxy-5-oxocyclopentyl]-2-heptenoic acid hexyl ester IUPAC Name: hexyl (E)-7-[(1R,2R,3R)-2-(4-ethynyl-4-hydroxydecyl)-3-hydroxy-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,2R,3R)-2-(4-hexyl-4-hydroxy-hex-5-ynyl)-3-hydroxy-5-keto-cyclopentyl]hept-2-enoic acid hexyl ester Formula: C30H50O5 MolecularWeight: 490.715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC1C(CC(=O)C1CCCCC=CC(=O)OCCCCCC)O)(C#C)O

Isomeric SMILES

CCCCCCC(CCC[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)OCCCCCC)O)(C#C)O

InChI

InChI=1S/C30H50O5/c1-4-7-9-15-21-30(34,6-3)22-17-19-26-25(27(31)24-28(26)32)18-13-11-12-14-20-29(33)35-23-16-10-8-5-2/h3,14,20,25-26,28,32,34H,4-5,7-13,15-19,21-24H2,1-2H3/b20-14+/t25-,26-,28-,30?/m1/s1