2-benzofuran-1,3-dione; [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] nonanoate

Systemtic Name: 2-benzofuran-1,3-dione; [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] nonanoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] nonanoate; isobenzofuran-1,3-dione CAS Name: isobenzofuran-1,3-dione; nonanoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: 2-benzofuran-1,3-dione; [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] nonanoate Traditional Name: pelargonic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester; phthalic anhydride Formula: C22H32O7 MolecularWeight: 408.48528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28O4.C8H4O3/c1-3-4-5-6-7-8-9-13(17)18-12-14(2,10-15)11-16;9-7-5-3-1-2-4-6(5)8(10)11-7/h15-16H,3-12H2,1-2H3;1-4H