4-butoxy-3-(4-cyclohexylphenyl)-5,6,6-tris(oxidanyl)-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 4-butoxy-3-(4-cyclohexylphenyl)-5,6,6-tris(oxidanyl)-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 4-butoxy-3-(4-cyclohexylphenyl)-5,6,6-trihydroxy-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 4-butoxy-3-(4-cyclohexylphenyl)-5,6,6-trihydroxy-5-propyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 4-butoxy-3-(4-cyclohexylphenyl)-5,6,6-trihydroxy-5-propylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 4-butoxy-3-(4-cyclohexylphenyl)-5,6,6-trihydroxy-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C26H36O6 MolecularWeight: 444.56044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(C1(CCC)O)(O)O)C(=O)O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CCCCOC1=C(C=C(C(C1(CCC)O)(O)O)C(=O)O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C26H36O6/c1-3-5-16-32-23-21(17-22(24(27)28)26(30,31)25(23,29)15-4-2)20-13-11-19(12-14-20)18-9-7-6-8-10-18/h11-14,17-18,29-31H,3-10,15-16H2,1-2H3,(H,27,28)