5-[4-methyl-2-[4-(2-phenoxyethoxy)phenyl]pentan-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-methyl-2-[4-(2-phenoxyethoxy)phenyl]pentan-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[1,3-dimethyl-1-[4-(2-phenoxyethoxy)phenyl]butyl]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[4-methyl-2-[4-(2-phenoxyethoxy)phenyl]pentan-2-yl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-methyl-2-[4-(2-phenoxyethoxy)phenyl]pentan-2-yl]benzoic acid Traditional Name: 5-[1,3-dimethyl-1-[4-(2-phenoxyethoxy)phenyl]butyl]-2-hydroxy-benzoic acid Formula: C27H30O5 MolecularWeight: 434.5241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)(C1=CC=C(C=C1)OCCOC2=CC=CC=C2)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(C)CC(C)(C1=CC=C(C=C1)OCCOC2=CC=CC=C2)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C27H30O5/c1-19(2)18-27(3,21-11-14-25(28)24(17-21)26(29)30)20-9-12-23(13-10-20)32-16-15-31-22-7-5-4-6-8-22/h4-14,17,19,28H,15-16,18H2,1-3H3,(H,29,30)