methyl 2-(2-bromoethyloxy)-5-(4-oxidanylbut-1-ynyl)benzoate

Systemtic Name: methyl 2-(2-bromoethyloxy)-5-(4-oxidanylbut-1-ynyl)benzoate Openeye Name: methyl 2-(2-bromoethoxy)-5-(4-hydroxybut-1-ynyl)benzoate CAS Name: 2-(2-bromoethoxy)-5-(4-hydroxybut-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 2-(2-bromoethoxy)-5-(4-hydroxybut-1-ynyl)benzoate Traditional Name: 2-(2-bromoethoxy)-5-(4-hydroxybut-1-ynyl)benzoic acid methyl ester Formula: C14H15BrO4 MolecularWeight: 327.1705

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C#CCCO)OCCBr

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C#CCCO)OCCBr

InChI

InChI=1S/C14H15BrO4/c1-18-14(17)12-10-11(4-2-3-8-16)5-6-13(12)19-9-7-15/h5-6,10,16H,3,7-9H2,1H3