7-[(1R,3R)-3-oxidanyl-5-oxidanylidene-2-[(3S)-3-oxidanyl-3-phenoxy-prop-1-ynyl]cyclopentyl]hept-4-ynoic acid

Systemtic Name: 7-[(1R,3R)-3-oxidanyl-5-oxidanylidene-2-[(3S)-3-oxidanyl-3-phenoxy-prop-1-ynyl]cyclopentyl]hept-4-ynoic acid Openeye Name: 7-[(1R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-3-phenoxy-prop-1-ynyl]-5-oxo-cyclopentyl]hept-4-ynoic acid CAS Name: 7-[(1R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-3-phenoxyprop-1-ynyl]-5-oxocyclopentyl]-4-heptynoic acid IUPAC Name: 7-[(1R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-3-phenoxyprop-1-ynyl]-5-oxocyclopentyl]hept-4-ynoic acid Traditional Name: 7-[(1R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-3-phenoxy-prop-1-ynyl]-5-keto-cyclopentyl]hept-4-ynoic acid Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1=O)CCC#CCCC(=O)O)C#CC(O)OC2=CC=CC=C2)O

Isomeric SMILES

C1[C@H](C([C@H](C1=O)CCC#CCCC(=O)O)C#C[C@@H](O)OC2=CC=CC=C2)O

InChI

InChI=1S/C21H22O6/c22-18-14-19(23)17(16(18)10-6-1-2-7-11-20(24)25)12-13-21(26)27-15-8-4-3-5-9-15/h3-5,8-9,16-17,19,21,23,26H,6-7,10-11,14H2,(H,24,25)/t16-,17?,19-,21+/m1/s1