1-adamantyl 7-bromanyl-1-oxidanylidene-3,4-dihydro-2H-naphthalene-2-carboxylate

Systemtic Name: 1-adamantyl 7-bromanyl-1-oxidanylidene-3,4-dihydro-2H-naphthalene-2-carboxylate Openeye Name: 1-adamantyl 7-bromo-1-oxo-tetralin-2-carboxylate CAS Name: 7-bromo-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 7-bromo-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate Traditional Name: 7-bromo-1-keto-tetralin-2-carboxylic acid 1-adamantyl ester Formula: C21H23BrO3 MolecularWeight: 403.30952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)Br)C(=O)C1C(=O)OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC2=C(C=C(C=C2)Br)C(=O)C1C(=O)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H23BrO3/c22-16-3-1-15-2-4-17(19(23)18(15)8-16)20(24)25-21-9-12-5-13(10-21)7-14(6-12)11-21/h1,3,8,12-14,17H,2,4-7,9-11H2