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

Systemtic Name: 3-[4-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-butyl]-6-oxidanyl-4-oxidanylidene-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 3-[4-(3,4-dihydroxyphenyl)-4-oxo-butyl]-6-hydroxy-4-oxo-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-[4-(3,4-dihydroxyphenyl)-4-oxobutyl]-6-hydroxy-4-oxo-5-propyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-[4-(3,4-dihydroxyphenyl)-4-oxobutyl]-6-hydroxy-4-oxo-5-propylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 3-[4-(3,4-dihydroxyphenyl)-4-keto-butyl]-6-hydroxy-4-keto-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C20H22O7 MolecularWeight: 374.38448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O7/c1-2-4-13-18(24)12(9-14(19(13)25)20(26)27)5-3-6-15(21)11-7-8-16(22)17(23)10-11/h7-10,12,22-23,25H,2-6H2,1H3,(H,26,27)