2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; terephthalic acid

Systemtic Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; terephthalic acid Openeye Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; terephthalic acid CAS Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; terephthalic acid IUPAC Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; terephthalic acid Traditional Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-methylol-propane-1,3-diol; hexane-1,6-diol; terephthalic acid Formula: C25H46O11 MolecularWeight: 522.62614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCCO)CCO

Isomeric SMILES

CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCCO)CCO

InChI

InChI=1S/C8H6O4.C6H14O3.C6H14O2.C5H12O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2-6(3-7,4-8)5-9;7-5-3-1-2-4-6-8;1-5(2,3-6)4-7/h1-4H,(H,9,10)(H,11,12);7-9H,2-5H2,1H3;7-8H,1-6H2;6-7H,3-4H2,1-2H3