2-benzofuran-1,3-dione; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonanedioic acid

Systemtic Name: 2-benzofuran-1,3-dione; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonanedioic acid Openeye Name: ethylene glycol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione; nonanedioic acid CAS Name: ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione; nonanedioic acid IUPAC Name: 2-benzofuran-1,3-dione; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonanedioic acid Traditional Name: azelaic acid; ethylene glycol; 2-ethyl-2-methylol-propane-1,3-diol; phthalic anhydride Formula: C25H40O12 MolecularWeight: 532.5779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O4.C8H4O3.C6H14O3.C2H6O2/c10-8(11)6-4-2-1-3-5-7-9(12)13;9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-6(3-7,4-8)5-9;3-1-2-4/h1-7H2,(H,10,11)(H,12,13);1-4H;7-9H,2-5H2,1H3;3-4H,1-2H2