2-benzofuran-1,3-dione; [2-(dodecanoyloxymethyl)-2-(hydroxymethyl)butyl] benzoate

Systemtic Name: 2-benzofuran-1,3-dione; [2-(dodecanoyloxymethyl)-2-(hydroxymethyl)butyl] benzoate Openeye Name: [2-(dodecanoyloxymethyl)-2-(hydroxymethyl)butyl] benzoate; isobenzofuran-1,3-dione CAS Name: benzoic acid [2-(hydroxymethyl)-2-(1-oxododecoxymethyl)butyl] ester; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; [2-(dodecanoyloxymethyl)-2-(hydroxymethyl)butyl] benzoate Traditional Name: benzoic acid [2-(lauroyloxymethyl)-2-methylol-butyl] ester; phthalic anhydride Formula: C33H44O8 MolecularWeight: 568.69766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)OC2=O

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)OC2=O

InChI

InChI=1S/C25H40O5.C8H4O3/c1-3-5-6-7-8-9-10-11-15-18-23(27)29-20-25(4-2,19-26)21-30-24(28)22-16-13-12-14-17-22;9-7-5-3-1-2-4-6(5)8(10)11-7/h12-14,16-17,26H,3-11,15,18-21H2,1-2H3;1-4H