2-benzofuran-1,3-dione; [2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propyl] benzoate

Systemtic Name: 2-benzofuran-1,3-dione; [2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propyl] benzoate Openeye Name: [2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propyl] benzoate; isobenzofuran-1,3-dione CAS Name: benzoic acid [2,2-bis(hydroxymethyl)-3-(1-oxooctadecoxy)propyl] ester; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; [2,2-bis(hydroxymethyl)-3-octadecanoyloxypropyl] benzoate Traditional Name: benzoic acid (2,2-dimethylol-3-stearoyloxy-propyl) ester; phthalic anhydride Formula: C38H54O9 MolecularWeight: 654.82996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50O6.C8H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28(33)35-25-30(23-31,24-32)26-36-29(34)27-20-17-16-18-21-27;9-7-5-3-1-2-4-6(5)8(10)11-7/h16-18,20-21,31-32H,2-15,19,22-26H2,1H3;1-4H