2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]-3-(4-oxidanylbutoxy)-4-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]-3-(4-oxidanylbutoxy)-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: 4-benzyloxy-2-(2-tert-butoxy-2-oxo-ethoxy)-3-(4-hydroxybutoxy)-4-oxo-butanoic acid CAS Name: 3-(4-hydroxybutoxy)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: 3-(4-hydroxybutoxy)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: 4-benzoxy-2-(2-tert-butoxy-2-keto-ethoxy)-3-(4-hydroxybutoxy)-4-keto-butyric acid Formula: C21H30O9 MolecularWeight: 426.4575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC(C(C(=O)OCC1=CC=CC=C1)OCCCCO)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)COC(C(C(=O)OCC1=CC=CC=C1)OCCCCO)C(=O)O

InChI

InChI=1S/C21H30O9/c1-21(2,3)30-16(23)14-28-17(19(24)25)18(27-12-8-7-11-22)20(26)29-13-15-9-5-4-6-10-15/h4-6,9-10,17-18,22H,7-8,11-14H2,1-3H3,(H,24,25)