(2-oxidanylidenechromen-7-yl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (2-oxochromen-7-yl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-ketochromen-7-yl) ester Formula: C21H21BrO4 MolecularWeight: 417.29304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC4=CC5=C(C=C4)C=CC(=O)O5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)OC4=CC5=C(C=C4)C=CC(=O)O5

InChI

InChI=1S/C21H21BrO4/c22-21-9-13-5-14(10-21)8-20(7-13,12-21)11-19(24)25-16-3-1-15-2-4-18(23)26-17(15)6-16/h1-4,6,13-14H,5,7-12H2/t13-,14+,20?,21?