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

Systemtic Name: 8-chloranyl-3-oxidanyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Openeye Name: 8-chloro-3-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isochromane-3-carboxylic acid CAS Name: 8-chloro-3-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 8-chloro-3-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Traditional Name: 8-chloro-3-hydroxy-1-keto-4-(3,4,5-trimethoxyphenyl)isochroman-3-carboxylic acid Formula: C19H17ClO8 MolecularWeight: 408.78648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=C(C(=CC=C3)Cl)C(=O)OC2(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=C(C(=CC=C3)Cl)C(=O)OC2(C(=O)O)O

InChI

InChI=1S/C19H17ClO8/c1-25-12-7-9(8-13(26-2)16(12)27-3)15-10-5-4-6-11(20)14(10)17(21)28-19(15,24)18(22)23/h4-8,15,24H,1-3H3,(H,22,23)