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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C(C)(C)C

Isomeric SMILES

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C(C)(C)C

InChI

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