3-methyl-1-oxidanylidene-6,8-bis(phenylmethoxy)isochromene-4-carboxylic acid

Systemtic Name: 3-methyl-1-oxidanylidene-6,8-bis(phenylmethoxy)isochromene-4-carboxylic acid Openeye Name: 6,8-dibenzyloxy-3-methyl-1-oxo-isochromene-4-carboxylic acid CAS Name: 3-methyl-1-oxo-6,8-bis(phenylmethoxy)-2-benzopyran-4-carboxylic acid IUPAC Name: 3-methyl-1-oxo-6,8-bis(phenylmethoxy)isochromene-4-carboxylic acid Traditional Name: 6,8-dibenzoxy-1-keto-3-methyl-isochromene-4-carboxylic acid Formula: C25H20O6 MolecularWeight: 416.4227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=CC(=C2C(=O)O1)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C2=CC(=CC(=C2C(=O)O1)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H20O6/c1-16-22(24(26)27)20-12-19(29-14-17-8-4-2-5-9-17)13-21(23(20)25(28)31-16)30-15-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3,(H,26,27)