benzene-1,3-dicarboxylic acid; butane-1,4-diol; nonanedioic acid; terephthalic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; nonanedioic acid; terephthalic acid Openeye Name: butane-1,4-diol; isophthalic acid; nonanedioic acid; terephthalic acid CAS Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; nonanedioic acid; terephthalic acid IUPAC Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; nonanedioic acid; terephthalic acid Traditional Name: azelaic acid; butane-1,4-diol; isophthalic acid; terephthalic acid Formula: C29H38O14 MolecularWeight: 610.60362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCO)CO

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCO)CO

InChI

InChI=1S/C9H16O4.2C8H6O4.C4H10O2/c10-8(11)6-4-2-1-3-5-7-9(12)13;9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;5-3-1-2-4-6/h1-7H2,(H,10,11)(H,12,13);2*1-4H,(H,9,10)(H,11,12);5-6H,1-4H2