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

Systemtic Name: 4-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-5-chloranyl-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 5-chloro-4-[6-(2,3-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 5-chloro-4-[6-(2,3-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 5-chloro-4-[6-(2,3-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 5-chloro-4-[6-(2,3-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C22H27ClO6 MolecularWeight: 422.89918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1OCCCCCCC2=C(C(=CC=C2)O)O)Cl)C(=O)O)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1OCCCCCCC2=C(C(=CC=C2)O)O)Cl)C(=O)O)O

InChI

InChI=1S/C22H27ClO6/c1-2-8-15-20(26)16(22(27)28)13-17(23)21(15)29-12-6-4-3-5-9-14-10-7-11-18(24)19(14)25/h7,10-11,13,24-26H,2-6,8-9,12H2,1H3,(H,27,28)