dimethyl benzene-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: dimethyl benzene-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: dimethyl benzene-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: dimethyl benzene-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: benzene-1,4-dicarboxylic acid dimethyl ester; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-methylol-propane-1,3-diol Formula: C21H36O9 MolecularWeight: 432.50514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC(C)(CO)CO.COC(=O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCC(CO)(CO)CO.CC(C)(CO)CO.COC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C10H10O4.C6H14O3.C5H12O2/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;1-2-6(3-7,4-8)5-9;1-5(2,3-6)4-7/h3-6H,1-2H3;7-9H,2-5H2,1H3;6-7H,3-4H2,1-2H3