4-[6-(3,4-dimethoxy-5-propan-2-yl-phenyl)hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-(3,4-dimethoxy-5-propan-2-yl-phenyl)hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 2-hydroxy-4-[6-(3-isopropyl-4,5-dimethoxy-phenyl)hexoxy]-3-propyl-benzoic acid CAS Name: 4-[6-(3,4-dimethoxy-5-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(3,4-dimethoxy-5-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 2-hydroxy-4-[6-(3-isopropyl-4,5-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=CC(=C(C(=C2)OC)OC)C(C)C

Isomeric SMILES

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

InChI

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