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

Systemtic Name: 2-benzofuran-1,3-dione; [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 2-butylbenzoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] 2-butylbenzoate; isobenzofuran-1,3-dione CAS Name: 2-butylbenzoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-butylbenzoate Traditional Name: 2-butylbenzoic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester; phthalic anhydride Formula: C24H28O7 MolecularWeight: 428.47492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(=O)OCC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O

Isomeric SMILES

CCCCC1=CC=CC=C1C(=O)OCC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O

InChI

InChI=1S/C16H24O4.C8H4O3/c1-3-4-7-13-8-5-6-9-14(13)15(19)20-12-16(2,10-17)11-18;9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6,8-9,17-18H,3-4,7,10-12H2,1-2H3;1-4H