benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol

Systemtic Name: benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol Openeye Name: adipic acid; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; isobenzofuran-1,3-dione; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; isobenzofuran-1,3-dione IUPAC Name: benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol Traditional Name: adipic acid; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; isophthalic acid; phthalic anhydride Formula: C33H46O15 MolecularWeight: 682.70934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C8H4O3.C6H10O4.C6H14O2.C5H12O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;1-5(2,3-6)4-7/h1-4H,(H,9,10)(H,11,12);1-4H;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;6-7H,3-4H2,1-2H3