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

Systemtic Name: 7-[2-(2-adamantyl)-2-oxidanylidene-ethoxy]-4-butyl-6-chloranyl-chromen-2-one Openeye Name: 7-[2-(2-adamantyl)-2-oxo-ethoxy]-4-butyl-6-chloro-chromen-2-one CAS Name: 7-[2-(2-adamantyl)-2-oxoethoxy]-4-butyl-6-chloro-1-benzopyran-2-one IUPAC Name: 7-[2-(2-adamantyl)-2-oxoethoxy]-4-butyl-6-chlorochromen-2-one Traditional Name: 7-[2-(2-adamantyl)-2-keto-ethoxy]-4-butyl-6-chloro-coumarin Formula: C25H29ClO4 MolecularWeight: 428.94836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H29ClO4/c1-2-3-4-16-10-24(28)30-22-12-23(20(26)11-19(16)22)29-13-21(27)25-17-6-14-5-15(8-17)9-18(25)7-14/h10-12,14-15,17-18,25H,2-9,13H2,1H3