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

Systemtic Name: [(1S)-4-dodecoxy-1-(hydroxymethyl)-3-oxidanylidene-2-benzofuran-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(1S)-4-dodecoxy-1-(hydroxymethyl)-3-oxo-isobenzofuran-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1S)-4-dodecoxy-1-(hydroxymethyl)-3-oxo-1-isobenzofuranyl]methyl ester IUPAC Name: [(1S)-4-dodecoxy-1-(hydroxymethyl)-3-oxo-2-benzofuran-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S)-3-keto-4-lauryloxy-1-methylol-phthalan-1-yl]methyl ester Formula: C27H42O6 MolecularWeight: 462.61878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42O6/c1-5-6-7-8-9-10-11-12-13-14-18-31-22-17-15-16-21-23(22)24(29)33-27(21,19-28)20-32-25(30)26(2,3)4/h15-17,28H,5-14,18-20H2,1-4H3/t27-/m0/s1