benzene-1,3-dicarboxylic acid; 6-(2,2-dimethyl-3-oxidanyl-propoxy)-6-oxidanylidene-hexanoic acid; propane-1,2-diol

Systemtic Name: benzene-1,3-dicarboxylic acid; 6-(2,2-dimethyl-3-oxidanyl-propoxy)-6-oxidanylidene-hexanoic acid; propane-1,2-diol Openeye Name: 6-(3-hydroxy-2,2-dimethyl-propoxy)-6-oxo-hexanoic acid; isophthalic acid; propane-1,2-diol CAS Name: benzene-1,3-dicarboxylic acid; 6-(3-hydroxy-2,2-dimethylpropoxy)-6-oxohexanoic acid; propane-1,2-diol IUPAC Name: benzene-1,3-dicarboxylic acid; 6-(3-hydroxy-2,2-dimethylpropoxy)-6-oxohexanoic acid; propane-1,2-diol Traditional Name: 6-(3-hydroxy-2,2-dimethyl-propoxy)-6-keto-hexanoic acid; isophthalic acid; propane-1,2-diol Formula: C22H34O11 MolecularWeight: 474.49876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O5.C8H6O4.C3H8O2/c1-11(2,7-12)8-16-10(15)6-4-3-5-9(13)14;9-7(10)5-2-1-3-6(4-5)8(11)12;1-3(5)2-4/h12H,3-8H2,1-2H3,(H,13,14);1-4H,(H,9,10)(H,11,12);3-5H,2H2,1H3