7-(4-chlorophenyl)-2-(3,5-ditert-butyl-4-oxidanyl-phenoxy)heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-(3,5-ditert-butyl-4-oxidanyl-phenoxy)heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-(3,5-ditert-butyl-4-hydroxy-phenoxy)heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-(3,5-ditert-butyl-4-hydroxyphenoxy)heptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-(3,5-ditert-butyl-4-hydroxyphenoxy)heptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-(3,5-ditert-butyl-4-hydroxy-phenoxy)enanthic acid Formula: C27H37ClO4 MolecularWeight: 461.03328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C27H37ClO4/c1-26(2,3)21-16-20(17-22(24(21)29)27(4,5)6)32-23(25(30)31)11-9-7-8-10-18-12-14-19(28)15-13-18/h12-17,23,29H,7-11H2,1-6H3,(H,30,31)