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

Systemtic Name: 3-(4-tert-butylphenyl)-4-hexoxy-5,6,6-tris(oxidanyl)-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-4-hexoxy-5,6,6-trihydroxy-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-4-hexoxy-5,6,6-trihydroxy-5-propyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-4-hexoxy-5,6,6-trihydroxy-5-propylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-4-hexoxy-5,6,6-trihydroxy-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C26H38O6 MolecularWeight: 446.57632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C(C1(CCC)O)(O)O)C(=O)O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C(C1(CCC)O)(O)O)C(=O)O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C26H38O6/c1-6-8-9-10-16-32-22-20(18-11-13-19(14-12-18)24(3,4)5)17-21(23(27)28)26(30,31)25(22,29)15-7-2/h11-14,17,29-31H,6-10,15-16H2,1-5H3,(H,27,28)