4-[4-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]butoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[4-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]butoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[4-(3,4-dihydroxy-2,5-dimethyl-phenyl)butoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[4-(3,4-dihydroxy-2,5-dimethylphenyl)butoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[4-(3,4-dihydroxy-2,5-dimethylphenyl)butoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[4-(3,4-dihydroxy-2,5-dimethyl-phenyl)butoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCC2=CC(=C(C(=C2C)O)O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCC2=CC(=C(C(=C2C)O)O)C

InChI

InChI=1S/C22H28O6/c1-4-7-16-18(10-9-17(21(16)25)22(26)27)28-11-6-5-8-15-12-13(2)19(23)20(24)14(15)3/h9-10,12,23-25H,4-8,11H2,1-3H3,(H,26,27)