ethyl 6-chloranyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: ethyl 6-chloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-chromene-3-carboxylate CAS Name: 6-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxochromene-3-carboxylate Traditional Name: 6-chloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-keto-chromene-3-carboxylic acid ethyl ester Formula: C26H29ClO5 MolecularWeight: 456.95846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)OC1=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)OC1=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C26H29ClO5/c1-8-31-23(29)21-20(16-13-15(27)9-10-19(16)32-24(21)30)14-11-17(25(2,3)4)22(28)18(12-14)26(5,6)7/h9-13,28H,8H2,1-7H3