4-[6-[3,4-bis(oxidanyl)-5-propan-2-yl-phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-[3,4-bis(oxidanyl)-5-propan-2-yl-phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(3,4-dihydroxy-5-isopropyl-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(3,4-dihydroxy-5-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(3,4-dihydroxy-5-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(3,4-dihydroxy-5-isopropyl-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C25H34O6 MolecularWeight: 430.53386

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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34O6/c1-4-9-18-22(12-11-19(23(18)27)25(29)30)31-13-8-6-5-7-10-17-14-20(16(2)3)24(28)21(26)15-17/h11-12,14-16,26-28H,4-10,13H2,1-3H3,(H,29,30)