3-(bromomethyl)-1-oxidanylidene-5-phenylmethoxy-3,4-dihydroisochromene-7-carboxylic acid

Systemtic Name: 3-(bromomethyl)-1-oxidanylidene-5-phenylmethoxy-3,4-dihydroisochromene-7-carboxylic acid Openeye Name: 5-benzyloxy-3-(bromomethyl)-1-oxo-isochromane-7-carboxylic acid CAS Name: 3-(bromomethyl)-1-oxo-5-phenylmethoxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid IUPAC Name: 3-(bromomethyl)-1-oxo-5-phenylmethoxy-3,4-dihydroisochromene-7-carboxylic acid Traditional Name: 5-benzoxy-3-(bromomethyl)-1-keto-isochroman-7-carboxylic acid Formula: C18H15BrO5 MolecularWeight: 391.2127

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC(=CC(=C21)OCC3=CC=CC=C3)C(=O)O)CBr

Isomeric SMILES

C1C(OC(=O)C2=CC(=CC(=C21)OCC3=CC=CC=C3)C(=O)O)CBr

InChI

InChI=1S/C18H15BrO5/c19-9-13-8-14-15(18(22)24-13)6-12(17(20)21)7-16(14)23-10-11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,20,21)