6-chloranyl-7-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-hexyl-4-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-7-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-hexyl-4-methyl-chromen-2-one Openeye Name: 6-chloro-7-(3,3-dimethyl-2-oxo-butoxy)-3-hexyl-4-methyl-chromen-2-one CAS Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-3-hexyl-4-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-3-hexyl-4-methylchromen-2-one Traditional Name: 6-chloro-3-hexyl-7-(2-keto-3,3-dimethyl-butoxy)-4-methyl-coumarin Formula: C22H29ClO4 MolecularWeight: 392.91626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OCC(=O)C(C)(C)C)Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OCC(=O)C(C)(C)C)Cl)C

InChI

InChI=1S/C22H29ClO4/c1-6-7-8-9-10-15-14(2)16-11-17(23)19(12-18(16)27-21(15)25)26-13-20(24)22(3,4)5/h11-12H,6-10,13H2,1-5H3