[6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl] 3-methylbutanoate

Systemtic Name: [6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl] 3-methylbutanoate Openeye Name: [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [6-chloro-2-(3,4-dimethoxyphenyl)-4-keto-chromen-3-yl] ester Formula: C22H21ClO6 MolecularWeight: 416.85154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=C(OC2=C(C1=O)C=C(C=C2)Cl)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CC(=O)OC1=C(OC2=C(C1=O)C=C(C=C2)Cl)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H21ClO6/c1-12(2)9-19(24)29-22-20(25)15-11-14(23)6-8-16(15)28-21(22)13-5-7-17(26-3)18(10-13)27-4/h5-8,10-12H,9H2,1-4H3