tert-butyl 2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)-3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: tert-butyl 2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)-3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: tert-butyl 2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)-3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 2-(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)-3-(3,4,5-trimethoxyphenyl)propionic acid tert-butyl ester Formula: C22H28O7 MolecularWeight: 404.45352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC(=C(C(=C1)OC)OC)OC)C2(C=CC(=O)C=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC(=C(C(=C1)OC)OC)OC)C2(C=CC(=O)C=C2)O

InChI

InChI=1S/C22H28O7/c1-21(2,3)29-20(24)16(22(25)9-7-15(23)8-10-22)11-14-12-17(26-4)19(28-6)18(13-14)27-5/h7-10,12-13,16,25H,11H2,1-6H3