7-[(1R,2R,3R)-2-[(E)-5-ethyl-4-oxidanyl-hept-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1R,2R,3R)-2-[(E)-5-ethyl-4-oxidanyl-hept-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2R,3R)-2-[(E)-5-ethyl-4-hydroxy-hept-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1R,2R,3R)-2-[(E)-5-ethyl-4-hydroxyhept-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,2R,3R)-2-[(E)-5-ethyl-4-hydroxyhept-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1R,2R,3R)-2-[(E)-5-ethyl-4-hydroxy-hept-1-enyl]-3-hydroxy-5-keto-cyclopentyl]enanthic acid Formula: C21H36O5 MolecularWeight: 368.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CC=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H36O5/c1-3-15(4-2)18(22)12-9-11-17-16(19(23)14-20(17)24)10-7-5-6-8-13-21(25)26/h9,11,15-18,20,22,24H,3-8,10,12-14H2,1-2H3,(H,25,26)/b11-9+/t16-,17-,18?,20-/m1/s1