(4-butoxycarbonylphenyl) 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: (4-butoxycarbonylphenyl) 2-oxidanylidenechromene-3-carboxylate Openeye Name: (4-butoxycarbonylphenyl) 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid (4-butoxycarbonylphenyl) ester Formula: C21H18O6 MolecularWeight: 366.36402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H18O6/c1-2-3-12-25-19(22)14-8-10-16(11-9-14)26-20(23)17-13-15-6-4-5-7-18(15)27-21(17)24/h4-11,13H,2-3,12H2,1H3