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

Systemtic Name: 4-butyl-6-chloranyl-7-(3,3-dimethyl-2-oxidanylidene-butoxy)chromen-2-one Openeye Name: 4-butyl-6-chloro-7-(3,3-dimethyl-2-oxo-butoxy)chromen-2-one CAS Name: 4-butyl-6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-(3,3-dimethyl-2-oxobutoxy)chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(2-keto-3,3-dimethyl-butoxy)coumarin Formula: C19H23ClO4 MolecularWeight: 350.83652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C(C)(C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C(C)(C)C

InChI

InChI=1S/C19H23ClO4/c1-5-6-7-12-8-18(22)24-15-10-16(14(20)9-13(12)15)23-11-17(21)19(2,3)4/h8-10H,5-7,11H2,1-4H3