benzene-1,3-dicarboxylic acid; 6-(6-oxidanylhexoxy)-6-oxidanylidene-hexanoic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 6-(6-oxidanylhexoxy)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(6-hydroxyhexoxy)-6-oxo-hexanoic acid; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 6-(6-hydroxyhexoxy)-6-oxohexanoic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 6-(6-hydroxyhexoxy)-6-oxohexanoic acid Traditional Name: 6-(6-hydroxyhexoxy)-6-keto-hexanoic acid; isophthalic acid Formula: C20H28O9 MolecularWeight: 412.43092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCOC(=O)CCCCC(=O)O)CCO

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCOC(=O)CCCCC(=O)O)CCO

InChI

InChI=1S/C12H22O5.C8H6O4/c13-9-5-1-2-6-10-17-12(16)8-4-3-7-11(14)15;9-7(10)5-2-1-3-6(4-5)8(11)12/h13H,1-10H2,(H,14,15);1-4H,(H,9,10)(H,11,12)