4-(5-bromanyl-2,3-dihydro-1-benzofuran-7-yl)butanoic acid

Systemtic Name: 4-(5-bromanyl-2,3-dihydro-1-benzofuran-7-yl)butanoic acid Openeye Name: 4-(5-bromo-2,3-dihydrobenzofuran-7-yl)butanoic acid CAS Name: 4-(5-bromo-2,3-dihydrobenzofuran-7-yl)butanoic acid IUPAC Name: 4-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)butanoic acid Traditional Name: 4-(5-bromocoumaran-7-yl)butyric acid Formula: C12H13BrO3 MolecularWeight: 285.13382

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C21)Br)CCCC(=O)O

Isomeric SMILES

C1COC2=C(C=C(C=C21)Br)CCCC(=O)O

InChI

InChI=1S/C12H13BrO3/c13-10-6-8(2-1-3-11(14)15)12-9(7-10)4-5-16-12/h6-7H,1-5H2,(H,14,15)