[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 4-tert-butylbenzoate

Systemtic Name: [2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 4-tert-butylbenzoate Openeye Name: [2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(3-bromo-4,5-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3-bromo-4,5-dimethoxyphenyl)-4-oxochromen-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C28H25BrO6 MolecularWeight: 537.3985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Br)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Br)OC)OC

InChI

InChI=1S/C28H25BrO6/c1-28(2,3)18-12-10-16(11-13-18)27(31)35-26-23(30)19-8-6-7-9-21(19)34-24(26)17-14-20(29)25(33-5)22(15-17)32-4/h6-15H,1-5H3