[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-bromanylbenzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-bromanylbenzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(3,4-dimethoxyphenyl)-4-keto-5,7-dimethyl-chromen-3-yl] ester Formula: C26H21BrO6 MolecularWeight: 509.34534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC=C(C=C3)Br)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC=C(C=C3)Br)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C26H21BrO6/c1-14-11-15(2)22-21(12-14)32-24(17-7-10-19(30-3)20(13-17)31-4)25(23(22)28)33-26(29)16-5-8-18(27)9-6-16/h5-13H,1-4H3