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

Systemtic Name: 4-[3,4-dimethoxy-6-oxidanylidene-5-(2-propan-2-ylphenyl)hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 2-hydroxy-4-[5-(2-isopropylphenyl)-3,4-dimethoxy-6-oxo-hexoxy]-3-propyl-benzoic acid CAS Name: 4-[3,4-dimethoxy-6-oxo-5-(2-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[3,4-dimethoxy-6-oxo-5-(2-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 2-hydroxy-4-(6-keto-3,4-dimethoxy-5-o-cumenyl-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)OCCC(C(C(C=O)C2=CC=CC=C2C(C)C)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H36O7/c1-6-9-20-23(13-12-21(25(20)29)27(30)31)34-15-14-24(32-4)26(33-5)22(16-28)19-11-8-7-10-18(19)17(2)3/h7-8,10-13,16-17,22,24,26,29H,6,9,14-15H2,1-5H3,(H,30,31)