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

Systemtic Name: 6-chloranyl-7-(3,3-dimethyl-2-oxidanylidene-butoxy)-3,4-dimethyl-chromen-2-one Openeye Name: 6-chloro-7-(3,3-dimethyl-2-oxo-butoxy)-3,4-dimethyl-chromen-2-one CAS Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-3,4-dimethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-3,4-dimethylchromen-2-one Traditional Name: 6-chloro-7-(2-keto-3,3-dimethyl-butoxy)-3,4-dimethyl-coumarin Formula: C17H19ClO4 MolecularWeight: 322.78336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClO4/c1-9-10(2)16(20)22-13-7-14(12(18)6-11(9)13)21-8-15(19)17(3,4)5/h6-7H,8H2,1-5H3