(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C24H28O5 MolecularWeight: 396.47612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C

InChI

InChI=1S/C24H28O5/c1-14-3-19-18(6-21(25)29-20(19)4-15(14)2)12-28-22(26)11-23-7-16-5-17(8-23)10-24(27,9-16)13-23/h3-4,6,16-17,27H,5,7-13H2,1-2H3