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benzene-1,3-dicarboxylic acid; hexane-1,6-diol; nonanedioic acid

benzene-1,3-dicarboxylic acid; hexane-1,6-diol; nonanedioic acid

Systemtic Name:benzene-1,3-dicarboxylic acid; hexane-1,6-diol; nonanedioic acid
Openeye Name:hexane-1,6-diol; isophthalic acid; nonanedioic acid
CAS Name:benzene-1,3-dicarboxylic acid; hexane-1,6-diol; nonanedioic acid
IUPAC Name:benzene-1,3-dicarboxylic acid; hexane-1,6-diol; nonanedioic acid
Traditional Name:azelaic acid; hexane-1,6-diol; isophthalic acid
Formula: C23H36O10
MolecularWeight: 472.52594
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCCO)CCO


Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCCO)CCO


InChI

InChI=1S/C9H16O4.C8H6O4.C6H14O2/c10-8(11)6-4-2-1-3-5-7-9(12)13;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5-3-1-2-4-6-8/h1-7H2,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12);7-8H,1-6H2


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