8-[2,6-bis(oxidanyl)phenyl]carbonyl-5-(carboxymethyl)-4-oxidanylidene-2-propyl-chromene-7-carboxylic acid

Systemtic Name: 8-[2,6-bis(oxidanyl)phenyl]carbonyl-5-(carboxymethyl)-4-oxidanylidene-2-propyl-chromene-7-carboxylic acid Openeye Name: 5-(carboxymethyl)-8-(2,6-dihydroxybenzoyl)-4-oxo-2-propyl-chromene-7-carboxylic acid CAS Name: 5-(carboxymethyl)-8-[(2,6-dihydroxyphenyl)-oxomethyl]-4-oxo-2-propyl-1-benzopyran-7-carboxylic acid IUPAC Name: 5-(carboxymethyl)-8-(2,6-dihydroxybenzoyl)-4-oxo-2-propylchromene-7-carboxylic acid Traditional Name: 5-(carboxymethyl)-8-(2,6-dihydroxybenzoyl)-4-keto-2-propyl-chromene-7-carboxylic acid Formula: C22H18O9 MolecularWeight: 426.37292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)C2=C(C=C(C(=C2O1)C(=O)C3=C(C=CC=C3O)O)C(=O)O)CC(=O)O

Isomeric SMILES

CCCC1=CC(=O)C2=C(C=C(C(=C2O1)C(=O)C3=C(C=CC=C3O)O)C(=O)O)CC(=O)O

InChI

InChI=1S/C22H18O9/c1-2-4-11-9-15(25)17-10(8-16(26)27)7-12(22(29)30)18(21(17)31-11)20(28)19-13(23)5-3-6-14(19)24/h3,5-7,9,23-24H,2,4,8H2,1H3,(H,26,27)(H,29,30)