3-[3-[(1R,2S,3R)-3-oxidanyl-2-[2-(1-oxidanylcyclopentyl)ethynyl]-5-oxidanylidene-cyclopentyl]propyl]benzoic acid

Systemtic Name: 3-[3-[(1R,2S,3R)-3-oxidanyl-2-[2-(1-oxidanylcyclopentyl)ethynyl]-5-oxidanylidene-cyclopentyl]propyl]benzoic acid Openeye Name: 3-[3-[(1R,2S,3R)-3-hydroxy-2-[2-(1-hydroxycyclopentyl)ethynyl]-5-oxo-cyclopentyl]propyl]benzoic acid CAS Name: 3-[3-[(1R,2S,3R)-3-hydroxy-2-[2-(1-hydroxycyclopentyl)ethynyl]-5-oxocyclopentyl]propyl]benzoic acid IUPAC Name: 3-[3-[(1R,2S,3R)-3-hydroxy-2-[2-(1-hydroxycyclopentyl)ethynyl]-5-oxocyclopentyl]propyl]benzoic acid Traditional Name: 3-[3-[(1R,2S,3R)-3-hydroxy-2-[2-(1-hydroxycyclopentyl)ethynyl]-5-keto-cyclopentyl]propyl]benzoic acid Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#CC2C(CC(=O)C2CCCC3=CC=CC(=C3)C(=O)O)O)O

Isomeric SMILES

C1CCC(C1)(C#C[C@H]2[C@@H](CC(=O)[C@@H]2CCCC3=CC=CC(=C3)C(=O)O)O)O

InChI

InChI=1S/C22H26O5/c23-19-14-20(24)18(9-12-22(27)10-1-2-11-22)17(19)8-4-6-15-5-3-7-16(13-15)21(25)26/h3,5,7,13,17-18,20,24,27H,1-2,4,6,8,10-11,14H2,(H,25,26)/t17-,18-,20-/m1/s1