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

Systemtic Name: 4-[6-(2,3-dimethoxy-4-propan-2-yl-phenyl)hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 2-hydroxy-4-[6-(4-isopropyl-2,3-dimethoxy-phenyl)hexoxy]-3-propyl-benzoic acid CAS Name: 4-[6-(2,3-dimethoxy-4-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(2,3-dimethoxy-4-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 2-hydroxy-4-[6-(4-isopropyl-2,3-dimethoxy-phenyl)hexoxy]-3-propyl-benzoic acid Formula: C27H38O6 MolecularWeight: 458.58702

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H38O6/c1-6-11-21-23(16-15-22(24(21)28)27(29)30)33-17-10-8-7-9-12-19-13-14-20(18(2)3)26(32-5)25(19)31-4/h13-16,18,28H,6-12,17H2,1-5H3,(H,29,30)