3-[6-[3,4-bis(oxidanyl)phenyl]-6-oxidanylidene-hexyl]-6-oxidanyl-4-oxidanylidene-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 3-[6-[3,4-bis(oxidanyl)phenyl]-6-oxidanylidene-hexyl]-6-oxidanyl-4-oxidanylidene-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 3-[6-(3,4-dihydroxyphenyl)-6-oxo-hexyl]-6-hydroxy-4-oxo-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-[6-(3,4-dihydroxyphenyl)-6-oxohexyl]-6-hydroxy-4-oxo-5-propyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-[6-(3,4-dihydroxyphenyl)-6-oxohexyl]-6-hydroxy-4-oxo-5-propylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 3-[6-(3,4-dihydroxyphenyl)-6-keto-hexyl]-6-hydroxy-4-keto-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C22H26O7 MolecularWeight: 402.43764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(C1=O)CCCCCC(=O)C2=CC(=C(C=C2)O)O)C(=O)O)O

Isomeric SMILES

CCCC1=C(C(=CC(C1=O)CCCCCC(=O)C2=CC(=C(C=C2)O)O)C(=O)O)O

InChI

InChI=1S/C22H26O7/c1-2-6-15-20(26)14(11-16(21(15)27)22(28)29)7-4-3-5-8-17(23)13-9-10-18(24)19(25)12-13/h9-12,14,24-25,27H,2-8H2,1H3,(H,28,29)