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

Systemtic Name: 6-chloranyl-7-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-(4-methoxyphenyl)chromen-2-one Openeye Name: 6-chloro-7-(3,3-dimethyl-2-oxo-butoxy)-4-(4-methoxyphenyl)chromen-2-one CAS Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-(4-methoxyphenyl)-1-benzopyran-2-one IUPAC Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-(4-methoxyphenyl)chromen-2-one Traditional Name: 6-chloro-7-(2-keto-3,3-dimethyl-butoxy)-4-(4-methoxyphenyl)coumarin Formula: C22H21ClO5 MolecularWeight: 400.85214

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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=C(C=C3)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClO5/c1-22(2,3)20(24)12-27-19-11-18-16(9-17(19)23)15(10-21(25)28-18)13-5-7-14(26-4)8-6-13/h5-11H,12H2,1-4H3