3-[bis(3-carboxy-5-methyl-4-oxidanyl-phenyl)methylidene]-2,4-dimethyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-[bis(3-carboxy-5-methyl-4-oxidanyl-phenyl)methylidene]-2,4-dimethyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-[bis(3-carboxy-4-hydroxy-5-methyl-phenyl)methylene]-2,4-dimethyl-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-[bis(3-carboxy-4-hydroxy-5-methylphenyl)methylidene]-2,4-dimethyl-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-[bis(3-carboxy-4-hydroxy-5-methylphenyl)methylidene]-2,4-dimethyl-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-[bis(3-carboxy-4-hydroxy-5-methyl-phenyl)methylene]-6-keto-2,4-dimethyl-cyclohexa-1,4-diene-1-carboxylic acid Formula: C26H22O9 MolecularWeight: 478.44748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C(=O)O)C(=C2C(=CC(=O)C(=C2C)C(=O)O)C)C3=CC(=C(C(=C3)C)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C(=O)O)C(=C2C(=CC(=O)C(=C2C)C(=O)O)C)C3=CC(=C(C(=C3)C)O)C(=O)O

InChI

InChI=1S/C26H22O9/c1-10-7-18(27)20(26(34)35)13(4)19(10)21(14-5-11(2)22(28)16(8-14)24(30)31)15-6-12(3)23(29)17(9-15)25(32)33/h5-9,28-29H,1-4H3,(H,30,31)(H,32,33)(H,34,35)