7-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-6-chloranyl-4-methyl-chromen-2-one

Systemtic Name: 7-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-6-chloranyl-4-methyl-chromen-2-one Openeye Name: 7-[2-(1-adamantyl)-2-oxo-ethoxy]-6-chloro-4-methyl-chromen-2-one CAS Name: 7-[2-(1-adamantyl)-2-oxoethoxy]-6-chloro-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[2-(1-adamantyl)-2-oxoethoxy]-6-chloro-4-methylchromen-2-one Traditional Name: 7-[2-(1-adamantyl)-2-keto-ethoxy]-6-chloro-4-methyl-coumarin Formula: C22H23ClO4 MolecularWeight: 386.86862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H23ClO4/c1-12-2-21(25)27-18-7-19(17(23)6-16(12)18)26-11-20(24)22-8-13-3-14(9-22)5-15(4-13)10-22/h2,6-7,13-15H,3-5,8-11H2,1H3