2-benzofuran-1,3-dione; [2-(hydroxymethyl)-2-methyl-3-nonanoyloxy-propyl] 4-tert-butylbenzoate

Systemtic Name: 2-benzofuran-1,3-dione; [2-(hydroxymethyl)-2-methyl-3-nonanoyloxy-propyl] 4-tert-butylbenzoate Openeye Name: [2-(hydroxymethyl)-2-methyl-3-nonanoyloxy-propyl] 4-tert-butylbenzoate; isobenzofuran-1,3-dione CAS Name: 4-tert-butylbenzoic acid [2-(hydroxymethyl)-2-methyl-3-(1-oxononoxy)propyl] ester; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; [2-(hydroxymethyl)-2-methyl-3-nonanoyloxypropyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (2-methyl-2-methylol-3-pelargonyloxy-propyl) ester; phthalic anhydride Formula: C33H44O8 MolecularWeight: 568.69766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O5.C8H4O3/c1-6-7-8-9-10-11-12-22(27)29-18-25(5,17-26)19-30-23(28)20-13-15-21(16-14-20)24(2,3)4;9-7-5-3-1-2-4-6(5)8(10)11-7/h13-16,26H,6-12,17-19H2,1-5H3;1-4H