3-oxidanyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid

Systemtic Name: 3-oxidanyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Openeye Name: 3-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isochromane-3-carboxylic acid CAS Name: 3-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 3-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Traditional Name: 3-hydroxy-1-keto-4-(3,4,5-trimethoxyphenyl)isochroman-3-carboxylic acid Formula: C19H18O8 MolecularWeight: 374.34142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=CC=CC=C3C(=O)OC2(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=CC=CC=C3C(=O)OC2(C(=O)O)O

InChI

InChI=1S/C19H18O8/c1-24-13-8-10(9-14(25-2)16(13)26-3)15-11-6-4-5-7-12(11)17(20)27-19(15,23)18(21)22/h4-9,15,23H,1-3H3,(H,21,22)