1-adamantyl (2R)-7-bromanyl-2-chloranyl-1-oxidanylidene-3,4-dihydronaphthalene-2-carboxylate

Systemtic Name: 1-adamantyl (2R)-7-bromanyl-2-chloranyl-1-oxidanylidene-3,4-dihydronaphthalene-2-carboxylate Openeye Name: 1-adamantyl (2R)-7-bromo-2-chloro-1-oxo-tetralin-2-carboxylate CAS Name: (2R)-7-bromo-2-chloro-1-oxo-3,4-dihydronaphthalene-2-carboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl (2R)-7-bromo-2-chloro-1-oxo-3,4-dihydronaphthalene-2-carboxylate Traditional Name: (2R)-7-bromo-2-chloro-1-keto-tetralin-2-carboxylic acid 1-adamantyl ester Formula: C21H22BrClO3 MolecularWeight: 437.75458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C2=C1C=CC(=C2)Br)(C(=O)OC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C1C[C@@](C(=O)C2=C1C=CC(=C2)Br)(C(=O)OC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C21H22BrClO3/c22-16-2-1-15-3-4-21(23,18(24)17(15)8-16)19(25)26-20-9-12-5-13(10-20)7-14(6-12)11-20/h1-2,8,12-14H,3-7,9-11H2/t12?,13?,14?,20?,21-/m1/s1