[(1R)-4-(2-tert-butyl-3,3-dimethyl-butoxy)-1-(hydroxymethyl)-3-oxidanylidene-2-benzofuran-1-yl]methyl dodecanoate

Systemtic Name: [(1R)-4-(2-tert-butyl-3,3-dimethyl-butoxy)-1-(hydroxymethyl)-3-oxidanylidene-2-benzofuran-1-yl]methyl dodecanoate Openeye Name: [(1R)-4-(2-tert-butyl-3,3-dimethyl-butoxy)-1-(hydroxymethyl)-3-oxo-isobenzofuran-1-yl]methyl dodecanoate CAS Name: dodecanoic acid [(1R)-4-(2-tert-butyl-3,3-dimethylbutoxy)-1-(hydroxymethyl)-3-oxo-1-isobenzofuranyl]methyl ester IUPAC Name: [(1R)-4-(2-tert-butyl-3,3-dimethylbutoxy)-1-(hydroxymethyl)-3-oxo-2-benzofuran-1-yl]methyl dodecanoate Traditional Name: lauric acid [(1R)-4-(2-tert-butyl-3,3-dimethyl-butoxy)-3-keto-1-methylol-phthalan-1-yl]methyl ester Formula: C32H52O6 MolecularWeight: 532.75168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1(C2=C(C(=CC=C2)OCC(C(C)(C)C)C(C)(C)C)C(=O)O1)CO

Isomeric SMILES

CCCCCCCCCCCC(=O)OC[C@@]1(C2=C(C(=CC=C2)OCC(C(C)(C)C)C(C)(C)C)C(=O)O1)CO

InChI

InChI=1S/C32H52O6/c1-8-9-10-11-12-13-14-15-16-20-27(34)37-23-32(22-33)24-18-17-19-25(28(24)29(35)38-32)36-21-26(30(2,3)4)31(5,6)7/h17-19,26,33H,8-16,20-23H2,1-7H3/t32-/m1/s1