2-benzofuran-1,3-dione; [2-(hexadecanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propyl] benzoate

Systemtic Name: 2-benzofuran-1,3-dione; [2-(hexadecanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propyl] benzoate Openeye Name: [2-(hexadecanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate; isobenzofuran-1,3-dione CAS Name: benzoic acid [2,2-bis(hydroxymethyl)-3-(1-oxohexadecoxy)propyl] ester; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; [2-(hexadecanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate Traditional Name: benzoic acid [2-(hexadecanoyloxymethyl)-3-hydroxy-2-methylol-propyl] ester; phthalic anhydride Formula: C36H50O9 MolecularWeight: 626.7768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O6.C8H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-26(31)33-23-28(21-29,22-30)24-34-27(32)25-18-15-14-16-19-25;9-7-5-3-1-2-4-6(5)8(10)11-7/h14-16,18-19,29-30H,2-13,17,20-24H2,1H3;1-4H