(4-tert-butylphenyl) 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (4-tert-butylphenyl) 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (4-tert-butylphenyl) 6-bromo-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-2-oxo-1-benzopyran-3-carboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 6-bromo-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-chromene-3-carboxylic acid (4-tert-butylphenyl) ester Formula: C20H17BrO4 MolecularWeight: 401.25058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C20H17BrO4/c1-20(2,3)13-4-7-15(8-5-13)24-18(22)16-11-12-10-14(21)6-9-17(12)25-19(16)23/h4-11H,1-3H3