cyclohexane-1,4-dicarboxylic acid; hexane-1,6-diol; terephthalic acid

Systemtic Name: cyclohexane-1,4-dicarboxylic acid; hexane-1,6-diol; terephthalic acid Openeye Name: cyclohexane-1,4-dicarboxylic acid; hexane-1,6-diol; terephthalic acid CAS Name: cyclohexane-1,4-dicarboxylic acid; hexane-1,6-diol; terephthalic acid IUPAC Name: cyclohexane-1,4-dicarboxylic acid; hexane-1,6-diol; terephthalic acid Traditional Name: cyclohexane-1,4-dicarboxylic acid; hexane-1,6-diol; terephthalic acid Formula: C22H32O10 MolecularWeight: 456.48348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCCO)CCO

Isomeric SMILES

C1CC(CCC1C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCCO)CCO

InChI

InChI=1S/C8H12O4.C8H6O4.C6H14O2/c2*9-7(10)5-1-2-6(4-3-5)8(11)12;7-5-3-1-2-4-6-8/h5-6H,1-4H2,(H,9,10)(H,11,12);1-4H,(H,9,10)(H,11,12);7-8H,1-6H2