4-[6-(3,4-dimethoxy-2,5,6-trimethyl-phenyl)-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-(3,4-dimethoxy-2,5,6-trimethyl-phenyl)-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(3,4-dimethoxy-2,5,6-trimethyl-phenyl)-6-oxo-hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(3,4-dimethoxy-2,5,6-trimethylphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(3,4-dimethoxy-2,5,6-trimethylphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(3,4-dimethoxy-2,5,6-trimethyl-phenyl)-6-keto-hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C27H36O7 MolecularWeight: 472.57054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=C(C(=C(C(=C2C)OC)OC)C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=C(C(=C(C(=C2C)OC)OC)C)C

InChI

InChI=1S/C27H36O7/c1-7-11-19-22(14-13-20(24(19)29)27(30)31)34-15-10-8-9-12-21(28)23-16(2)17(3)25(32-5)26(33-6)18(23)4/h13-14,29H,7-12,15H2,1-6H3,(H,30,31)