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

Systemtic Name: 4-[6-(3,4-dimethoxy-5-propan-2-yl-phenyl)-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 2-hydroxy-4-[6-(3-isopropyl-4,5-dimethoxy-phenyl)-6-oxo-hexoxy]-3-propyl-benzoic acid CAS Name: 4-[6-(3,4-dimethoxy-5-propan-2-ylphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(3,4-dimethoxy-5-propan-2-ylphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 2-hydroxy-4-[6-(3-isopropyl-4,5-dimethoxy-phenyl)-6-keto-hexoxy]-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=CC(=C(C(=C2)OC)OC)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H36O7/c1-6-10-19-23(13-12-20(25(19)29)27(30)31)34-14-9-7-8-11-22(28)18-15-21(17(2)3)26(33-5)24(16-18)32-4/h12-13,15-17,29H,6-11,14H2,1-5H3,(H,30,31)