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

Systemtic Name: 4-hexoxy-3-(4-methylphenyl)-5,6,6-tris(oxidanyl)-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 4-hexoxy-5,6,6-trihydroxy-5-propyl-3-(p-tolyl)cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 4-hexoxy-5,6,6-trihydroxy-3-(4-methylphenyl)-5-propyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 4-hexoxy-5,6,6-trihydroxy-3-(4-methylphenyl)-5-propylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 4-hexoxy-5,6,6-trihydroxy-5-propyl-3-(p-tolyl)cyclohexa-1,3-diene-1-carboxylic acid Formula: C23H32O6 MolecularWeight: 404.49658

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H32O6/c1-4-6-7-8-14-29-20-18(17-11-9-16(3)10-12-17)15-19(21(24)25)23(27,28)22(20,26)13-5-2/h9-12,15,26-28H,4-8,13-14H2,1-3H3,(H,24,25)