4-[4-[4-cyclohexyl-2,3-bis(oxidanyl)phenyl]butoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[4-[4-cyclohexyl-2,3-bis(oxidanyl)phenyl]butoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[4-(4-cyclohexyl-2,3-dihydroxy-phenyl)butoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[4-(4-cyclohexyl-2,3-dihydroxyphenyl)butoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[4-(4-cyclohexyl-2,3-dihydroxyphenyl)butoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[4-(4-cyclohexyl-2,3-dihydroxy-phenyl)butoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C26H34O6 MolecularWeight: 442.54456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCC2=C(C(=C(C=C2)C3CCCCC3)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCC2=C(C(=C(C=C2)C3CCCCC3)O)O

InChI

InChI=1S/C26H34O6/c1-2-8-20-22(15-14-21(24(20)28)26(30)31)32-16-7-6-11-18-12-13-19(25(29)23(18)27)17-9-4-3-5-10-17/h12-15,17,27-29H,2-11,16H2,1H3,(H,30,31)