ethyl 4-(3-chloranyl-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 4-(3-chloranyl-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 4-(3-chloro-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 4-(3-chloro-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-5-keto-2,7,7-trimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C22H25ClO5 MolecularWeight: 404.8839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)Cl)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)Cl)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C22H25ClO5/c1-6-27-21(25)18-12(2)28-17-11-22(3,4)10-15(24)20(17)19(18)13-7-8-16(26-5)14(23)9-13/h7-9,19H,6,10-11H2,1-5H3