ethyl 4-chloranyl-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-chloranyl-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-chloro-5-hydroxy-2-phenyl-benzofuran-3-carboxylate CAS Name: 4-chloro-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 4-chloro-5-hydroxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C17H13ClO4 MolecularWeight: 316.73572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H13ClO4/c1-2-21-17(20)14-13-12(9-8-11(19)15(13)18)22-16(14)10-6-4-3-5-7-10/h3-9,19H,2H2,1H3