(4-butoxycarbonylphenyl) 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (4-butoxycarbonylphenyl) 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (4-butoxycarbonylphenyl) 6-bromo-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-2-oxo-1-benzopyran-3-carboxylic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 6-bromo-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-chromene-3-carboxylic acid (4-butoxycarbonylphenyl) ester Formula: C21H17BrO6 MolecularWeight: 445.26008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrO6/c1-2-3-10-26-19(23)13-4-7-16(8-5-13)27-20(24)17-12-14-11-15(22)6-9-18(14)28-21(17)25/h4-9,11-12H,2-3,10H2,1H3