cyclohexane; methanol; terephthalic acid

Systemtic Name: cyclohexane; methanol; terephthalic acid Openeye Name: cyclohexane; methanol; terephthalic acid CAS Name: cyclohexane; methanol; terephthalic acid IUPAC Name: cyclohexane; methanol; terephthalic acid Traditional Name: cyclohexane; methanol; terephthalic acid Formula: C16H26O6 MolecularWeight: 314.37404

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Descriptors Computed from Structure

Canonical SMILES:

CO.CO.C1CCCCC1.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CO.CO.C1CCCCC1.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4.C6H12.2CH4O/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2-4-6-5-3-1;2*1-2/h1-4H,(H,9,10)(H,11,12);1-6H2;2*2H,1H3