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

Systemtic Name: 4-[6-[2,3-bis(oxidanyl)-4-propan-2-yl-phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(2,3-dihydroxy-4-isopropyl-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(2,3-dihydroxy-4-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(2,3-dihydroxy-4-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(2,3-dihydroxy-4-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=C(C(=C(C=C2)C(C)C)O)O

Isomeric SMILES

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

InChI

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