(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C24H27BrO4 MolecularWeight: 459.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

InChI

InChI=1S/C24H27BrO4/c1-14-3-4-19-18(6-20(26)29-22(19)15(14)2)12-28-21(27)11-23-7-16-5-17(8-23)10-24(25,9-16)13-23/h3-4,6,16-17H,5,7-13H2,1-2H3