[2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 4-tert-butylbenzoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 4-tert-butylbenzoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-4-oxo-chromen-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(3-bromo-4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-4-oxochromen-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(3-bromo-4-methoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C27H23BrO5 MolecularWeight: 507.37252

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H23BrO5/c1-27(2,3)18-12-9-16(10-13-18)26(30)33-25-23(29)19-7-5-6-8-21(19)32-24(25)17-11-14-22(31-4)20(28)15-17/h5-15H,1-4H3