methyl 1-oxidanylidene-3-(2-oxidanylpropan-2-yl)-4-phenyl-isochromene-6-carboxylate

Systemtic Name: methyl 1-oxidanylidene-3-(2-oxidanylpropan-2-yl)-4-phenyl-isochromene-6-carboxylate Openeye Name: methyl 3-(1-hydroxy-1-methyl-ethyl)-1-oxo-4-phenyl-isochromene-6-carboxylate CAS Name: 3-(2-hydroxypropan-2-yl)-1-oxo-4-phenyl-2-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-hydroxypropan-2-yl)-1-oxo-4-phenylisochromene-6-carboxylate Traditional Name: 3-(1-hydroxy-1-methyl-ethyl)-1-keto-4-phenyl-isochromene-6-carboxylic acid methyl ester Formula: C20H18O5 MolecularWeight: 338.35392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C2=C(C=CC(=C2)C(=O)OC)C(=O)O1)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C1=C(C2=C(C=CC(=C2)C(=O)OC)C(=O)O1)C3=CC=CC=C3)O

InChI

InChI=1S/C20H18O5/c1-20(2,23)17-16(12-7-5-4-6-8-12)15-11-13(18(21)24-3)9-10-14(15)19(22)25-17/h4-11,23H,1-3H3