methyl 2-[2-(1-adamantyl)-4-oxidanylidene-chromen-6-yl]-2-bromanyl-ethanoate

Systemtic Name: methyl 2-[2-(1-adamantyl)-4-oxidanylidene-chromen-6-yl]-2-bromanyl-ethanoate Openeye Name: methyl 2-[2-(1-adamantyl)-4-oxo-chromen-6-yl]-2-bromo-acetate CAS Name: 2-[2-(1-adamantyl)-4-oxo-1-benzopyran-6-yl]-2-bromoacetic acid methyl ester IUPAC Name: methyl 2-[2-(1-adamantyl)-4-oxochromen-6-yl]-2-bromoacetate Traditional Name: 2-[2-(1-adamantyl)-4-keto-chromen-6-yl]-2-bromo-acetic acid methyl ester Formula: C22H23BrO4 MolecularWeight: 431.31962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC2=C(C=C1)OC(=CC2=O)C34CC5CC(C3)CC(C5)C4)Br

Isomeric SMILES

COC(=O)C(C1=CC2=C(C=C1)OC(=CC2=O)C34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C22H23BrO4/c1-26-21(25)20(23)15-2-3-18-16(7-15)17(24)8-19(27-18)22-9-12-4-13(10-22)6-14(5-12)11-22/h2-3,7-8,12-14,20H,4-6,9-11H2,1H3