4-(3-bromanylpropoxy)-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-(3-bromanylpropoxy)-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 4-(3-bromopropoxy)-3-methyl-benzofuran-2-carboxylic acid CAS Name: 4-(3-bromopropoxy)-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 4-(3-bromopropoxy)-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 4-(3-bromopropoxy)-3-methyl-coumarilic acid Formula: C13H13BrO4 MolecularWeight: 313.14392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCBr)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCBr)C(=O)O

InChI

InChI=1S/C13H13BrO4/c1-8-11-9(17-7-3-6-14)4-2-5-10(11)18-12(8)13(15)16/h2,4-5H,3,6-7H2,1H3,(H,15,16)