benzene-1,3-dicarboxylic acid; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; (2,2-dimethyl-3-oxidanyl-propyl) 2,2-dimethyl-3-oxidanyl-propanoate; 2,2-dimethylpropane-1,3-diol; [4-(hydroxymethyl)cyclohexyl]methanol; terephthalic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; (2,2-dimethyl-3-oxidanyl-propyl) 2,2-dimethyl-3-oxidanyl-propanoate; 2,2-dimethylpropane-1,3-diol; [4-(hydroxymethyl)cyclohexyl]methanol; terephthalic acid Openeye Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; (3-hydroxy-2,2-dimethyl-propyl) 3-hydroxy-2,2-dimethyl-propanoate; [4-(hydroxymethyl)cyclohexyl]methanol; isophthalic acid; terephthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-5-isobenzofurancarboxylic acid; 3-hydroxy-2,2-dimethylpropanoic acid (3-hydroxy-2,2-dimethylpropyl) ester; [4-(hydroxymethyl)cyclohexyl]methanol; terephthalic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate; [4-(hydroxymethyl)cyclohexyl]methanol; terephthalic acid Traditional Name: 2,2-dimethylpropane-1,3-diol; 3-hydroxy-2,2-dimethyl-propionic acid (3-hydroxy-2,2-dimethyl-propyl) ester; isophthalic acid; (4-methylolcyclohexyl)methanol; terephthalic acid; trimellitic anhydride Formula: C48H64O21 MolecularWeight: 977.00916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)CO.CC(C)(CO)COC(=O)C(C)(C)CO.C1CC(CCC1CO)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

Isomeric SMILES

CC(C)(CO)CO.CC(C)(CO)COC(=O)C(C)(C)CO.C1CC(CCC1CO)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

InChI

InChI=1S/C10H20O4.C9H4O5.2C8H6O4.C8H16O2.C5H12O2/c1-9(2,5-11)7-14-8(13)10(3,4)6-12;10-7(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;9-5-7-1-2-8(6-10)4-3-7;1-5(2,3-6)4-7/h11-12H,5-7H2,1-4H3;1-3H,(H,10,11);2*1-4H,(H,9,10)(H,11,12);7-10H,1-6H2;6-7H,3-4H2,1-2H3