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

Systemtic Name: 7-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-4-butyl-6-chloranyl-chromen-2-one Openeye Name: 7-[2-(1-adamantyl)-2-oxo-ethoxy]-4-butyl-6-chloro-chromen-2-one CAS Name: 7-[2-(1-adamantyl)-2-oxoethoxy]-4-butyl-6-chloro-1-benzopyran-2-one IUPAC Name: 7-[2-(1-adamantyl)-2-oxoethoxy]-4-butyl-6-chlorochromen-2-one Traditional Name: 7-[2-(1-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)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29ClO4/c1-2-3-4-18-8-24(28)30-21-10-22(20(26)9-19(18)21)29-14-23(27)25-11-15-5-16(12-25)7-17(6-15)13-25/h8-10,15-17H,2-7,11-14H2,1H3