2-benzofuran-1,3-dione; decanoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol

Systemtic Name: 2-benzofuran-1,3-dione; decanoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol Openeye Name: decanoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; isobenzofuran-1,3-dione CAS Name: decanoic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; decanoic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol Traditional Name: capric acid; 2-methyl-2-methylol-propane-1,3-diol; phthalic anhydride Formula: C23H36O8 MolecularWeight: 440.52714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O

Isomeric SMILES

CCCCCCCCCC(=O)O.CC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O

InChI

InChI=1S/C10H20O2.C8H4O3.C5H12O3/c1-2-3-4-5-6-7-8-9-10(11)12;9-7-5-3-1-2-4-6(5)8(10)11-7;1-5(2-6,3-7)4-8/h2-9H2,1H3,(H,11,12);1-4H;6-8H,2-4H2,1H3