(E)-2-(2-oxidanylidenecyclopentyl)-2-(2-oxidanyl-3-phenoxy-propoxy)hept-5-enoic acid

Systemtic Name: (E)-2-(2-oxidanylidenecyclopentyl)-2-(2-oxidanyl-3-phenoxy-propoxy)hept-5-enoic acid Openeye Name: (E)-2-(2-hydroxy-3-phenoxy-propoxy)-2-(2-oxocyclopentyl)hept-5-enoic acid CAS Name: (E)-2-(2-hydroxy-3-phenoxypropoxy)-2-(2-oxocyclopentyl)-5-heptenoic acid IUPAC Name: (E)-2-(2-hydroxy-3-phenoxypropoxy)-2-(2-oxocyclopentyl)hept-5-enoic acid Traditional Name: (E)-2-(2-hydroxy-3-phenoxy-propoxy)-2-(2-ketocyclopentyl)hept-5-enoic acid Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC(C1CCCC1=O)(C(=O)O)OCC(COC2=CC=CC=C2)O

Isomeric SMILES

C/C=C/CCC(C1CCCC1=O)(C(=O)O)OCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C21H28O6/c1-2-3-7-13-21(20(24)25,18-11-8-12-19(18)23)27-15-16(22)14-26-17-9-5-4-6-10-17/h2-6,9-10,16,18,22H,7-8,11-15H2,1H3,(H,24,25)/b3-2+