3-[3-oxidanyl-4-[2-(2-oxidanyl-3-oxidanylidene-butan-2-yl)phenoxy]-2-propoxy-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[3-oxidanyl-4-[2-(2-oxidanyl-3-oxidanylidene-butan-2-yl)phenoxy]-2-propoxy-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-hydroxy-4-[2-(1-hydroxy-1-methyl-2-oxo-propyl)phenoxy]-2-propoxy-phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[3-hydroxy-4-[2-(2-hydroxy-3-oxobutan-2-yl)phenoxy]-2-propoxyphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-hydroxy-4-[2-(2-hydroxy-3-oxobutan-2-yl)phenoxy]-2-propoxyphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-hydroxy-4-[2-(1-hydroxy-2-keto-1-methyl-propyl)phenoxy]-2-propoxy-phenyl]-2-isopropoxy-propionic acid Formula: C25H32O8 MolecularWeight: 460.51678

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1O)OC2=CC=CC=C2C(C)(C(=O)C)O)CC(C(=O)O)OC(C)C

Isomeric SMILES

CCCOC1=C(C=CC(=C1O)OC2=CC=CC=C2C(C)(C(=O)C)O)CC(C(=O)O)OC(C)C

InChI

InChI=1S/C25H32O8/c1-6-13-31-23-17(14-21(24(28)29)32-15(2)3)11-12-20(22(23)27)33-19-10-8-7-9-18(19)25(5,30)16(4)26/h7-12,15,21,27,30H,6,13-14H2,1-5H3,(H,28,29)