4-(4-bromanyl-3,5-dimethoxy-phenyl)-6-methoxy-1-oxidanylidene-7-phenylmethoxy-3,4-dihydroisochromene-3-carboxylic acid

Systemtic Name: 4-(4-bromanyl-3,5-dimethoxy-phenyl)-6-methoxy-1-oxidanylidene-7-phenylmethoxy-3,4-dihydroisochromene-3-carboxylic acid Openeye Name: 7-benzyloxy-4-(4-bromo-3,5-dimethoxy-phenyl)-6-methoxy-1-oxo-isochromane-3-carboxylic acid CAS Name: 4-(4-bromo-3,5-dimethoxyphenyl)-6-methoxy-1-oxo-7-phenylmethoxy-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(4-bromo-3,5-dimethoxyphenyl)-6-methoxy-1-oxo-7-phenylmethoxy-3,4-dihydroisochromene-3-carboxylic acid Traditional Name: 7-benzoxy-4-(4-bromo-3,5-dimethoxy-phenyl)-1-keto-6-methoxy-isochroman-3-carboxylic acid Formula: C26H23BrO8 MolecularWeight: 543.36002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C2C(OC(=O)C3=CC(=C(C=C23)OC)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2C(OC(=O)C3=CC(=C(C=C23)OC)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H23BrO8/c1-31-18-11-16-17(12-19(18)34-13-14-7-5-4-6-8-14)26(30)35-24(25(28)29)22(16)15-9-20(32-2)23(27)21(10-15)33-3/h4-12,22,24H,13H2,1-3H3,(H,28,29)