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

Systemtic Name: 6-chloranyl-7-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-phenyl-chromen-2-one Openeye Name: 6-chloro-7-(3,3-dimethyl-2-oxo-butoxy)-4-phenyl-chromen-2-one CAS Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenylchromen-2-one Traditional Name: 6-chloro-7-(2-keto-3,3-dimethyl-butoxy)-4-phenyl-coumarin Formula: C21H19ClO4 MolecularWeight: 370.82616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19ClO4/c1-21(2,3)19(23)12-25-18-11-17-15(9-16(18)22)14(10-20(24)26-17)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3