2-benzofuran-1,3-dione; [2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 4-tert-butylbenzoate

Systemtic Name: 2-benzofuran-1,3-dione; [2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 4-tert-butylbenzoate Openeye Name: [2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 4-tert-butylbenzoate; isobenzofuran-1,3-dione CAS Name: 4-tert-butylbenzoic acid [2-(hydroxymethyl)-2-methyl-3-(7-methyl-1-oxooctoxy)propyl] ester; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; [2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-hydroxy-2-methyl-2-(7-methyloctanoyloxymethyl)propyl] ester; phthalic anhydride Formula: C33H44O8 MolecularWeight: 568.69766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=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

CC(C)CCCCCC(=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/c1-19(2)10-8-7-9-11-22(27)29-17-25(6,16-26)18-30-23(28)20-12-14-21(15-13-20)24(3,4)5;9-7-5-3-1-2-4-6(5)8(10)11-7/h12-15,19,26H,7-11,16-18H2,1-6H3;1-4H