bicyclo[2.2.1]hepta-1,3,5-trien-7-one; ethyl 5-tert-butyl-7-chloranyl-3-methyl-4-oxidanyl-1-benzofuran-2-carboxylate

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; ethyl 5-tert-butyl-7-chloranyl-3-methyl-4-oxidanyl-1-benzofuran-2-carboxylate Openeye Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; ethyl 5-tert-butyl-7-chloro-4-hydroxy-3-methyl-benzofuran-2-carboxylate CAS Name: 7-bicyclo[2.2.1]hepta-1,3,5-trienone; 5-tert-butyl-7-chloro-4-hydroxy-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; ethyl 5-tert-butyl-7-chloro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; 5-tert-butyl-7-chloro-4-hydroxy-3-methyl-coumarilic acid ethyl ester Formula: C23H23ClO5 MolecularWeight: 414.87872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=CC(=C2O1)Cl)C(C)(C)C)O)C.C1=CC2=CC=C1C2=O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=CC(=C2O1)Cl)C(C)(C)C)O)C.C1=CC2=CC=C1C2=O

InChI

InChI=1S/C16H19ClO4.C7H4O/c1-6-20-15(19)13-8(2)11-12(18)9(16(3,4)5)7-10(17)14(11)21-13;8-7-5-1-2-6(7)4-3-5/h7,18H,6H2,1-5H3;1-4H