3-(4-tert-butylphenyl)-4-octoxy-5,6,6-tris(oxidanyl)-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-4-octoxy-5,6,6-tris(oxidanyl)-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5,6,6-trihydroxy-4-octoxy-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-5,6,6-trihydroxy-4-octoxy-5-propyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5,6,6-trihydroxy-4-octoxy-5-propylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5,6,6-trihydroxy-4-octoxy-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C28H42O6 MolecularWeight: 474.62948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(C1(CCC)O)(O)O)C(=O)O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(C1(CCC)O)(O)O)C(=O)O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C28H42O6/c1-6-8-9-10-11-12-18-34-24-22(20-13-15-21(16-14-20)26(3,4)5)19-23(25(29)30)28(32,33)27(24,31)17-7-2/h13-16,19,31-33H,6-12,17-18H2,1-5H3,(H,29,30)