2-(1-adamantyl)-6-ethanoyl-chromen-4-one

Systemtic Name: 2-(1-adamantyl)-6-ethanoyl-chromen-4-one Openeye Name: 6-acetyl-2-(1-adamantyl)chromen-4-one CAS Name: 6-acetyl-2-(1-adamantyl)-1-benzopyran-4-one IUPAC Name: 6-acetyl-2-(1-adamantyl)chromen-4-one Traditional Name: 6-acetyl-2-(1-adamantyl)chromone Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O3/c1-12(22)16-2-3-19-17(7-16)18(23)8-20(24-19)21-9-13-4-14(10-21)6-15(5-13)11-21/h2-3,7-8,13-15H,4-6,9-11H2,1H3