3-(2,3-dimethylphenyl)-4-hexoxy-5,6,6-tris(oxidanyl)-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 3-(2,3-dimethylphenyl)-4-hexoxy-5,6,6-tris(oxidanyl)-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 3-(2,3-dimethylphenyl)-4-hexoxy-5,6,6-trihydroxy-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 3-(2,3-dimethylphenyl)-4-hexoxy-5,6,6-trihydroxy-5-propyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 3-(2,3-dimethylphenyl)-4-hexoxy-5,6,6-trihydroxy-5-propylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 3-(2,3-dimethylphenyl)-4-hexoxy-5,6,6-trihydroxy-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C24H34O6 MolecularWeight: 418.52316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34O6/c1-5-7-8-9-14-30-21-19(18-12-10-11-16(3)17(18)4)15-20(22(25)26)24(28,29)23(21,27)13-6-2/h10-12,15,27-29H,5-9,13-14H2,1-4H3,(H,25,26)