benzene-1,3-dicarboxylic acid; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid; terephthalic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid; terephthalic acid Openeye Name: adipic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; ethylene glycol; isophthalic acid; terephthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-5-isobenzofurancarboxylic acid; ethane-1,2-diol; hexanedioic acid; terephthalic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; ethane-1,2-diol; hexanedioic acid; terephthalic acid Traditional Name: adipic acid; 2,2-dimethylpropane-1,3-diol; ethylene glycol; isophthalic acid; terephthalic acid; trimellitic anhydride Formula: C38H44O21 MolecularWeight: 836.74336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O.C(CO)O

Isomeric SMILES

CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O.C(CO)O

InChI

InChI=1S/C9H4O5.2C8H6O4.C6H10O4.C5H12O2.C2H6O2/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;1-5(2,3-6)4-7;3-1-2-4/h1-3H,(H,10,11);2*1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3;3-4H,1-2H2