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

Systemtic Name: 4-[4-[3-tert-butyl-4,5-bis(oxidanyl)phenyl]butoxy]-2-oxidanyl-benzoic acid Openeye Name: 4-[4-(3-tert-butyl-4,5-dihydroxy-phenyl)butoxy]-2-hydroxy-benzoic acid CAS Name: 4-[4-(3-tert-butyl-4,5-dihydroxyphenyl)butoxy]-2-hydroxybenzoic acid IUPAC Name: 4-[4-(3-tert-butyl-4,5-dihydroxyphenyl)butoxy]-2-hydroxybenzoic acid Traditional Name: 4-[4-(3-tert-butyl-4,5-dihydroxy-phenyl)butoxy]-2-hydroxy-benzoic acid Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCCCOC2=CC(=C(C=C2)C(=O)O)O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCCCOC2=CC(=C(C=C2)C(=O)O)O)O)O

InChI

InChI=1S/C21H26O6/c1-21(2,3)16-10-13(11-18(23)19(16)24)6-4-5-9-27-14-7-8-15(20(25)26)17(22)12-14/h7-8,10-12,22-24H,4-6,9H2,1-3H3,(H,25,26)