4-[6-[2,3-bis(phenylmethoxy)phenyl]hexoxy]-5-chloranyl-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-[2,3-bis(phenylmethoxy)phenyl]hexoxy]-5-chloranyl-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 5-chloro-4-[6-(2,3-dibenzyloxyphenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-[2,3-bis(phenylmethoxy)phenyl]hexoxy]-5-chloro-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-[2,3-bis(phenylmethoxy)phenyl]hexoxy]-5-chloro-2-hydroxy-3-propylbenzoic acid Traditional Name: 5-chloro-4-[6-(2,3-dibenzoxyphenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C36H39ClO6 MolecularWeight: 603.14426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1OCCCCCCC2=C(C(=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl)C(=O)O)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1OCCCCCCC2=C(C(=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl)C(=O)O)O

InChI

InChI=1S/C36H39ClO6/c1-2-14-29-33(38)30(36(39)40)23-31(37)35(29)41-22-12-4-3-11-19-28-20-13-21-32(42-24-26-15-7-5-8-16-26)34(28)43-25-27-17-9-6-10-18-27/h5-10,13,15-18,20-21,23,38H,2-4,11-12,14,19,22,24-25H2,1H3,(H,39,40)