4-[6-[3,4-bis(oxidanyl)phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-[3,4-bis(oxidanyl)phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(3,4-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(3,4-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(3,4-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(3,4-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C22H28O6 MolecularWeight: 388.45412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C22H28O6/c1-2-7-16-20(12-10-17(21(16)25)22(26)27)28-13-6-4-3-5-8-15-9-11-18(23)19(24)14-15/h9-12,14,23-25H,2-8,13H2,1H3,(H,26,27)