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

Systemtic Name: 4-[6-(2-chloranyl-3,4-dimethoxy-phenyl)hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(2-chloro-3,4-dimethoxy-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(2-chloro-3,4-dimethoxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(2-chloro-3,4-dimethoxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(2-chloro-3,4-dimethoxy-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C24H31ClO6 MolecularWeight: 450.95234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClO6/c1-4-9-17-19(14-12-18(22(17)26)24(27)28)31-15-8-6-5-7-10-16-11-13-20(29-2)23(30-3)21(16)25/h11-14,26H,4-10,15H2,1-3H3,(H,27,28)