ethyl 3-[1-(3-ethoxy-3-oxidanylidene-propyl)-4,4-bis(oxidanyl)-3-phenyl-cyclohexa-2,5-dien-1-yl]propanoate

Systemtic Name: ethyl 3-[1-(3-ethoxy-3-oxidanylidene-propyl)-4,4-bis(oxidanyl)-3-phenyl-cyclohexa-2,5-dien-1-yl]propanoate Openeye Name: ethyl 3-[1-(3-ethoxy-3-oxo-propyl)-4,4-dihydroxy-3-phenyl-cyclohexa-2,5-dien-1-yl]propanoate CAS Name: 3-[1-(3-ethoxy-3-oxopropyl)-4,4-dihydroxy-3-phenyl-1-cyclohexa-2,5-dienyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(3-ethoxy-3-oxopropyl)-4,4-dihydroxy-3-phenylcyclohexa-2,5-dien-1-yl]propanoate Traditional Name: 3-[1-(3-ethoxy-3-keto-propyl)-4,4-dihydroxy-3-phenyl-cyclohexa-2,5-dien-1-yl]propionic acid ethyl ester Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1(C=CC(C(=C1)C2=CC=CC=C2)(O)O)CCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCC1(C=CC(C(=C1)C2=CC=CC=C2)(O)O)CCC(=O)OCC

InChI

InChI=1S/C22H28O6/c1-3-27-19(23)10-12-21(13-11-20(24)28-4-2)14-15-22(25,26)18(16-21)17-8-6-5-7-9-17/h5-9,14-16,25-26H,3-4,10-13H2,1-2H3