dimethyl 2-(3-bromanyl-5-methanoyl-4-oxidanyl-phenyl)butanedioate

Systemtic Name: dimethyl 2-(3-bromanyl-5-methanoyl-4-oxidanyl-phenyl)butanedioate Openeye Name: dimethyl 2-(3-bromo-5-formyl-4-hydroxy-phenyl)butanedioate CAS Name: 2-(3-bromo-5-formyl-4-hydroxyphenyl)butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-bromo-5-formyl-4-hydroxyphenyl)butanedioate Traditional Name: 2-(3-bromo-5-formyl-4-hydroxy-phenyl)succinic acid dimethyl ester Formula: C13H13BrO6 MolecularWeight: 345.14272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC(=C(C(=C1)C=O)O)Br)C(=O)OC

Isomeric SMILES

COC(=O)CC(C1=CC(=C(C(=C1)C=O)O)Br)C(=O)OC

InChI

InChI=1S/C13H13BrO6/c1-19-11(16)5-9(13(18)20-2)7-3-8(6-15)12(17)10(14)4-7/h3-4,6,9,17H,5H2,1-2H3