benzene-1,3-dicarboxylic acid; 2,2,4-trimethylpentane-1,3-diol

Systemtic Name: benzene-1,3-dicarboxylic acid; 2,2,4-trimethylpentane-1,3-diol Openeye Name: isophthalic acid; 2,2,4-trimethylpentane-1,3-diol CAS Name: benzene-1,3-dicarboxylic acid; 2,2,4-trimethylpentane-1,3-diol IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2,4-trimethylpentane-1,3-diol Traditional Name: isophthalic acid; 2,2,4-trimethylpentane-1,3-diol Formula: C16H24O6 MolecularWeight: 312.35816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C8H18O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-6(2)7(10)8(3,4)5-9/h1-4H,(H,9,10)(H,11,12);6-7,9-10H,5H2,1-4H3