(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C25H17BrO6 MolecularWeight: 493.30288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC3=CC4=C(C=C3Br)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC3=CC4=C(C=C3Br)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H17BrO6/c1-14-22(27)17-8-5-9-18(24(17)32-23(14)15-6-3-2-4-7-15)25(28)29-12-16-10-20-21(11-19(16)26)31-13-30-20/h2-11H,12-13H2,1H3