7-[(1R,2R,3R)-2-[(E)-4-ethynyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]-2-methyl-heptanoate

Systemtic Name: 7-[(1R,2R,3R)-2-[(E)-4-ethynyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]-2-methyl-heptanoate Openeye Name: 7-[(1R,2R,3R)-2-[(E)-4-ethynyl-4-hydroxy-oct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]-2-methyl-heptanoate CAS Name: 7-[(1R,2R,3R)-2-[(E)-4-ethynyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-2-methylheptanoate IUPAC Name: 7-[(1R,2R,3R)-2-[(E)-4-ethynyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-2-methylheptanoate Traditional Name: 7-[(1R,2R,3R)-2-[(E)-4-butyl-4-hydroxy-hex-1-en-5-ynyl]-3-hydroxy-5-keto-cyclopentyl]-2-methyl-enanthate Formula: C23H35O5- MolecularWeight: 391.521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC=CC1C(CC(=O)C1CCCCCC(C)C(=O)[O-])O)(C#C)O

Isomeric SMILES

CCCCC(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCC(C)C(=O)[O-])O)(C#C)O

InChI

InChI=1S/C23H36O5/c1-4-6-14-23(28,5-2)15-10-13-19-18(20(24)16-21(19)25)12-9-7-8-11-17(3)22(26)27/h2,10,13,17-19,21,25,28H,4,6-9,11-12,14-16H2,1,3H3,(H,26,27)/p-1/b13-10+/t17?,18-,19-,21-,23?/m1/s1