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2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)butyl 7-methyloctanoate

2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)butyl 7-methyloctanoate

Systemtic Name:2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)butyl 7-methyloctanoate
Openeye Name:2,2-bis(hydroxymethyl)butyl 7-methyloctanoate; isobenzofuran-1,3-dione
CAS Name:isobenzofuran-1,3-dione; 7-methyloctanoic acid 2,2-bis(hydroxymethyl)butyl ester
IUPAC Name:2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)butyl 7-methyloctanoate
Traditional Name:7-methylcaprylic acid 2,2-dimethylolbutyl ester; phthalic anhydride
Formula: C23H34O7
MolecularWeight: 422.51186
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)COC(=O)CCCCCC(C)C.C1=CC=C2C(=C1)C(=O)OC2=O


Isomeric SMILES

CCC(CO)(CO)COC(=O)CCCCCC(C)C.C1=CC=C2C(=C1)C(=O)OC2=O


InChI

InChI=1S/C15H30O4.C8H4O3/c1-4-15(10-16,11-17)12-19-14(18)9-7-5-6-8-13(2)3;9-7-5-3-1-2-4-6(5)8(10)11-7/h13,16-17H,4-12H2,1-3H3;1-4H


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