4-[8-[4-tert-butyl-2,3-bis(oxidanyl)phenyl]octoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[8-[4-tert-butyl-2,3-bis(oxidanyl)phenyl]octoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[8-(4-tert-butyl-2,3-dihydroxy-phenyl)octoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[8-(4-tert-butyl-2,3-dihydroxyphenyl)octoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[8-(4-tert-butyl-2,3-dihydroxyphenyl)octoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[8-(4-tert-butyl-2,3-dihydroxy-phenyl)octoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C28H40O6 MolecularWeight: 472.6136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCCCC2=C(C(=C(C=C2)C(C)(C)C)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCCCC2=C(C(=C(C=C2)C(C)(C)C)O)O

InChI

InChI=1S/C28H40O6/c1-5-12-20-23(17-15-21(25(20)30)27(32)33)34-18-11-9-7-6-8-10-13-19-14-16-22(28(2,3)4)26(31)24(19)29/h14-17,29-31H,5-13,18H2,1-4H3,(H,32,33)