ethane-1,2-diol; [4-(hydroxymethyl)cyclohexyl]methanol; terephthalic acid

Systemtic Name: ethane-1,2-diol; [4-(hydroxymethyl)cyclohexyl]methanol; terephthalic acid Openeye Name: ethylene glycol; [4-(hydroxymethyl)cyclohexyl]methanol; terephthalic acid CAS Name: ethane-1,2-diol; [4-(hydroxymethyl)cyclohexyl]methanol; terephthalic acid IUPAC Name: ethane-1,2-diol; [4-(hydroxymethyl)cyclohexyl]methanol; terephthalic acid Traditional Name: ethylene glycol; (4-methylolcyclohexyl)methanol; terephthalic acid Formula: C18H28O8 MolecularWeight: 372.41012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O

Isomeric SMILES

C1CC(CCC1CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O

InChI

InChI=1S/C8H6O4.C8H16O2.C2H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;9-5-7-1-2-8(6-10)4-3-7;3-1-2-4/h1-4H,(H,9,10)(H,11,12);7-10H,1-6H2;3-4H,1-2H2