4-[5-(6-chloranyl-2,3-dimethoxy-phenyl)pentoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[5-(6-chloranyl-2,3-dimethoxy-phenyl)pentoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[5-(6-chloro-2,3-dimethoxy-phenyl)pentoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[5-(6-chloro-2,3-dimethoxyphenyl)pentoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[5-(6-chloro-2,3-dimethoxyphenyl)pentoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[5-(6-chloro-2,3-dimethoxy-phenyl)pentoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C23H29ClO6 MolecularWeight: 436.92576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC2=C(C=CC(=C2OC)OC)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC2=C(C=CC(=C2OC)OC)Cl

InChI

InChI=1S/C23H29ClO6/c1-4-8-16-19(12-10-17(21(16)25)23(26)27)30-14-7-5-6-9-15-18(24)11-13-20(28-2)22(15)29-3/h10-13,25H,4-9,14H2,1-3H3,(H,26,27)