benzene-1,3-dicarboxylic acid; butane-1,4-diol; 2,3-dimethylterephthalic acid; nonanedioic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; 2,3-dimethylterephthalic acid; nonanedioic acid Openeye Name: butane-1,4-diol; 2,3-dimethylterephthalic acid; isophthalic acid; nonanedioic acid CAS Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; 2,3-dimethylterephthalic acid; nonanedioic acid IUPAC Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; 2,3-dimethylterephthalic acid; nonanedioic acid Traditional Name: azelaic acid; butane-1,4-diol; 2,3-dimethylterephthalic acid; isophthalic acid Formula: C31H42O14 MolecularWeight: 638.65678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)C(=O)O)C(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCO)CO

Isomeric SMILES

CC1=C(C=CC(=C1C)C(=O)O)C(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCO)CO

InChI

InChI=1S/C10H10O4.C9H16O4.C8H6O4.C4H10O2/c1-5-6(2)8(10(13)14)4-3-7(5)9(11)12;10-8(11)6-4-2-1-3-5-7-9(12)13;9-7(10)5-2-1-3-6(4-5)8(11)12;5-3-1-2-4-6/h3-4H,1-2H3,(H,11,12)(H,13,14);1-7H2,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12);5-6H,1-4H2