ethyl 5-bromanyl-2-oxidanyl-3-[3-oxidanylidene-2-(3-propan-2-yloxyphenyl)propanoyl]benzoate

Systemtic Name: ethyl 5-bromanyl-2-oxidanyl-3-[3-oxidanylidene-2-(3-propan-2-yloxyphenyl)propanoyl]benzoate Openeye Name: ethyl 5-bromo-2-hydroxy-3-[2-(3-isopropoxyphenyl)-3-oxo-propanoyl]benzoate CAS Name: 5-bromo-3-[1,3-dioxo-2-(3-propan-2-yloxyphenyl)propyl]-2-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-hydroxy-3-[3-oxo-2-(3-propan-2-yloxyphenyl)propanoyl]benzoate Traditional Name: 5-bromo-2-hydroxy-3-[2-(3-isopropoxyphenyl)-3-keto-propanoyl]benzoic acid ethyl ester Formula: C21H21BrO6 MolecularWeight: 449.29184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC(=C1)Br)C(=O)C(C=O)C2=CC(=CC=C2)OC(C)C)O

Isomeric SMILES

CCOC(=O)C1=C(C(=CC(=C1)Br)C(=O)C(C=O)C2=CC(=CC=C2)OC(C)C)O

InChI

InChI=1S/C21H21BrO6/c1-4-27-21(26)17-10-14(22)9-16(19(17)24)20(25)18(11-23)13-6-5-7-15(8-13)28-12(2)3/h5-12,18,24H,4H2,1-3H3