2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-(2-oxidanylpropoxy)propan-2-ol

Systemtic Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-(2-oxidanylpropoxy)propan-2-ol Openeye Name: adipic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 1-(2-hydroxypropoxy)propan-2-ol; isobenzofuran-1,3-dione CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-(2-hydroxypropoxy)-2-propanol; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-(2-hydroxypropoxy)propan-2-ol Traditional Name: adipic acid; 2-ethyl-2-methylol-propane-1,3-diol; 1-(2-hydroxypropoxy)propan-2-ol; phthalic anhydride Formula: C26H42O13 MolecularWeight: 562.60388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4O3.C6H10O4.2C6H14O3/c9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;1-5(7)3-9-4-6(2)8;1-2-6(3-7,4-8)5-9/h1-4H;1-4H2,(H,7,8)(H,9,10);5-8H,3-4H2,1-2H3;7-9H,2-5H2,1H3