4-[6-(4-tert-butyl-2,3-dimethoxy-phenyl)hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-(4-tert-butyl-2,3-dimethoxy-phenyl)hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(4-tert-butyl-2,3-dimethoxy-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(4-tert-butyl-2,3-dimethoxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(4-tert-butyl-2,3-dimethoxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(4-tert-butyl-2,3-dimethoxy-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C28H40O6 MolecularWeight: 472.6136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O6/c1-7-12-20-23(17-15-21(24(20)29)27(30)31)34-18-11-9-8-10-13-19-14-16-22(28(2,3)4)26(33-6)25(19)32-5/h14-17,29H,7-13,18H2,1-6H3,(H,30,31)