benzene-1,3-dicarboxylic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol

Systemtic Name: benzene-1,3-dicarboxylic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol Openeye Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol IUPAC Name: benzene-1,3-dicarboxylic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol Traditional Name: isophthalic acid; 2-methyl-2-methylol-propane-1,3-diol Formula: C13H18O7 MolecularWeight: 286.27782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C5H12O3/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-5(2-6,3-7)4-8/h1-4H,(H,9,10)(H,11,12);6-8H,2-4H2,1H3