3-[6-[6,7-bis(oxidanyl)naphthalen-2-yl]-6-oxidanylidene-hexyl]-6-oxidanyl-4-oxidanylidene-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 3-[6-[6,7-bis(oxidanyl)naphthalen-2-yl]-6-oxidanylidene-hexyl]-6-oxidanyl-4-oxidanylidene-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 3-[6-(6,7-dihydroxy-2-naphthyl)-6-oxo-hexyl]-6-hydroxy-4-oxo-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-[6-(6,7-dihydroxy-2-naphthalenyl)-6-oxohexyl]-6-hydroxy-4-oxo-5-propyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-[6-(6,7-dihydroxynaphthalen-2-yl)-6-oxohexyl]-6-hydroxy-4-oxo-5-propylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 3-[6-(6,7-dihydroxy-2-naphthyl)-6-keto-hexyl]-6-hydroxy-4-keto-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C26H28O7 MolecularWeight: 452.49632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(C1=O)CCCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O)C(=O)O)O

Isomeric SMILES

CCCC1=C(C(=CC(C1=O)CCCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O)C(=O)O)O

InChI

InChI=1S/C26H28O7/c1-2-6-19-24(30)17(12-20(25(19)31)26(32)33)7-4-3-5-8-21(27)16-10-9-15-13-22(28)23(29)14-18(15)11-16/h9-14,17,28-29,31H,2-8H2,1H3,(H,32,33)