4-(4-bromanyl-3,5-dimethoxy-phenyl)-1-oxidanylidene-7-phenylmethoxy-isochromene-3-carboxylic acid

Systemtic Name: 4-(4-bromanyl-3,5-dimethoxy-phenyl)-1-oxidanylidene-7-phenylmethoxy-isochromene-3-carboxylic acid Openeye Name: 7-benzyloxy-4-(4-bromo-3,5-dimethoxy-phenyl)-1-oxo-isochromene-3-carboxylic acid CAS Name: 4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-phenylmethoxy-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-phenylmethoxyisochromene-3-carboxylic acid Traditional Name: 7-benzoxy-4-(4-bromo-3,5-dimethoxy-phenyl)-1-keto-isochromene-3-carboxylic acid Formula: C25H19BrO7 MolecularWeight: 511.31816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C2=C(OC(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2=C(OC(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H19BrO7/c1-30-19-10-15(11-20(31-2)22(19)26)21-17-9-8-16(32-13-14-6-4-3-5-7-14)12-18(17)25(29)33-23(21)24(27)28/h3-12H,13H2,1-2H3,(H,27,28)