6-chloranyl-5-(2-methylidenebutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-chloranyl-5-(2-methylidenebutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 6-chloro-5-(2-methylenebutanoyl)-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 6-chloro-5-(2-methylene-1-oxobutyl)-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 6-chloro-5-(2-methylidenebutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 6-chloro-5-(2-ethylacryloyl)coumaran-2-carboxylic acid Formula: C14H13ClO4 MolecularWeight: 280.70362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(=O)C1=CC2=C(C=C1Cl)OC(C2)C(=O)O

Isomeric SMILES

CCC(=C)C(=O)C1=CC2=C(C=C1Cl)OC(C2)C(=O)O

InChI

InChI=1S/C14H13ClO4/c1-3-7(2)13(16)9-4-8-5-12(14(17)18)19-11(8)6-10(9)15/h4,6,12H,2-3,5H2,1H3,(H,17,18)