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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H25ClO5 MolecularWeight: 416.8946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)Cl

InChI

InChI=1S/C23H25ClO5/c1-13-2-19-17(5-18(13)24)16(4-20(25)29-19)11-28-21(26)10-22-6-14-3-15(7-22)9-23(27,8-14)12-22/h2,4-5,14-15,27H,3,6-12H2,1H3