ethyl (4R)-4-(4-bromophenyl)-7,7-dimethyl-2-oxidanyl-5-oxidanylidene-3,4,6,8-tetrahydrochromene-2-carboxylate

Systemtic Name: ethyl (4R)-4-(4-bromophenyl)-7,7-dimethyl-2-oxidanyl-5-oxidanylidene-3,4,6,8-tetrahydrochromene-2-carboxylate Openeye Name: ethyl (4R)-4-(4-bromophenyl)-2-hydroxy-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydrochromene-2-carboxylate CAS Name: (4R)-4-(4-bromophenyl)-2-hydroxy-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(4-bromophenyl)-2-hydroxy-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydrochromene-2-carboxylate Traditional Name: (4R)-4-(4-bromophenyl)-2-hydroxy-5-keto-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C20H23BrO5 MolecularWeight: 423.29762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(C2=C(O1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Br)O

Isomeric SMILES

CCOC(=O)C1(C[C@@H](C2=C(O1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H23BrO5/c1-4-25-18(23)20(24)9-14(12-5-7-13(21)8-6-12)17-15(22)10-19(2,3)11-16(17)26-20/h5-8,14,24H,4,9-11H2,1-3H3/t14-,20?/m1/s1