[(1R)-4-dodecoxy-1-(hydroxymethyl)-3-oxidanylidene-2-benzofuran-1-yl]methyl 3,3-dimethylbutanoate

Systemtic Name: [(1R)-4-dodecoxy-1-(hydroxymethyl)-3-oxidanylidene-2-benzofuran-1-yl]methyl 3,3-dimethylbutanoate Openeye Name: [(1R)-4-dodecoxy-1-(hydroxymethyl)-3-oxo-isobenzofuran-1-yl]methyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [(1R)-4-dodecoxy-1-(hydroxymethyl)-3-oxo-1-isobenzofuranyl]methyl ester IUPAC Name: [(1R)-4-dodecoxy-1-(hydroxymethyl)-3-oxo-2-benzofuran-1-yl]methyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [(1R)-3-keto-4-lauryloxy-1-methylol-phthalan-1-yl]methyl ester Formula: C28H44O6 MolecularWeight: 476.64536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC2=C1C(=O)OC2(CO)COC(=O)CC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC2=C1C(=O)O[C@]2(CO)COC(=O)CC(C)(C)C

InChI

InChI=1S/C28H44O6/c1-5-6-7-8-9-10-11-12-13-14-18-32-23-17-15-16-22-25(23)26(31)34-28(22,20-29)21-33-24(30)19-27(2,3)4/h15-17,29H,5-14,18-21H2,1-4H3/t28-/m1/s1