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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4O3.C6H10O4.C5H12O3.C4H10O2/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(2-6,3-7)4-8;1-4(6)2-3-5/h1-4H;1-4H2,(H,7,8)(H,9,10);6-8H,2-4H2,1H3;4-6H,2-3H2,1H3