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

Systemtic Name: 4-[6-[2-chloranyl-3,4-bis(oxidanyl)phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(2-chloro-3,4-dihydroxy-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(2-chloro-3,4-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(2-chloro-3,4-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(2-chloro-3,4-dihydroxy-phenyl)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(=C1O)C(=O)O)OCCCCCCC2=C(C(=C(C=C2)O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClO6/c1-2-7-15-18(12-10-16(20(15)25)22(27)28)29-13-6-4-3-5-8-14-9-11-17(24)21(26)19(14)23/h9-12,24-26H,2-8,13H2,1H3,(H,27,28)