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

Systemtic Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; propane-1,2-diol Openeye Name: adipic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione; propane-1,2-diol CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; isobenzofuran-1,3-dione; propane-1,2-diol IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; propane-1,2-diol Traditional Name: adipic acid; 2-ethyl-2-methylol-propane-1,3-diol; phthalic anhydride; propane-1,2-diol Formula: C23H36O12 MolecularWeight: 504.52474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4O3.C6H10O4.C6H14O3.C3H8O2/c9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;1-3(5)2-4/h1-4H;1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;3-5H,2H2,1H3