2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)propane-1,3-diol; (2,2-dimethyl-3-oxidanyl-propyl) nonanoate

Systemtic Name: 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)propane-1,3-diol; (2,2-dimethyl-3-oxidanyl-propyl) nonanoate Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; (3-hydroxy-2,2-dimethyl-propyl) nonanoate; isobenzofuran-1,3-dione CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione; nonanoic acid (3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)propane-1,3-diol; (3-hydroxy-2,2-dimethylpropyl) nonanoate Traditional Name: 2,2-dimethylolpropane-1,3-diol; pelargonic acid (3-hydroxy-2,2-dimethyl-propyl) ester; phthalic anhydride Formula: C27H44O10 MolecularWeight: 528.63226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28O3.C8H4O3.C5H12O4/c1-4-5-6-7-8-9-10-13(16)17-12-14(2,3)11-15;9-7-5-3-1-2-4-6(5)8(10)11-7;6-1-5(2-7,3-8)4-9/h15H,4-12H2,1-3H3;1-4H;6-9H,1-4H2