3-(3,3-dimethyl-2-oxidanyl-4-phenyl-butyl)-5-phenylmethoxy-benzoic acid

Systemtic Name: 3-(3,3-dimethyl-2-oxidanyl-4-phenyl-butyl)-5-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-5-(2-hydroxy-3,3-dimethyl-4-phenyl-butyl)benzoic acid CAS Name: 3-(2-hydroxy-3,3-dimethyl-4-phenylbutyl)-5-phenylmethoxybenzoic acid IUPAC Name: 3-(2-hydroxy-3,3-dimethyl-4-phenylbutyl)-5-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-5-(2-hydroxy-3,3-dimethyl-4-phenyl-butyl)benzoic acid Formula: C26H28O4 MolecularWeight: 404.49812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)C(CC2=CC(=CC(=C2)C(=O)O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)C(CC2=CC(=CC(=C2)C(=O)O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C26H28O4/c1-26(2,17-19-9-5-3-6-10-19)24(27)15-21-13-22(25(28)29)16-23(14-21)30-18-20-11-7-4-8-12-20/h3-14,16,24,27H,15,17-18H2,1-2H3,(H,28,29)