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

Systemtic Name: 6-chloranyl-7-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-methyl-chromen-2-one Openeye Name: 6-chloro-7-(3,3-dimethyl-2-oxo-butoxy)-4-methyl-chromen-2-one CAS Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-methylchromen-2-one Traditional Name: 6-chloro-7-(2-keto-3,3-dimethyl-butoxy)-4-methyl-coumarin Formula: C16H17ClO4 MolecularWeight: 308.75678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C(C)(C)C

InChI

InChI=1S/C16H17ClO4/c1-9-5-15(19)21-12-7-13(11(17)6-10(9)12)20-8-14(18)16(2,3)4/h5-7H,8H2,1-4H3