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

Systemtic Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; dodecanedioic acid; terephthalic acid Openeye Name: butane-1,4-diol; dodecanedioic acid; isophthalic acid; terephthalic acid CAS Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; dodecanedioic acid; terephthalic acid IUPAC Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; dodecanedioic acid; terephthalic acid Traditional Name: butane-1,4-diol; dodecanedioic acid; isophthalic acid; terephthalic acid Formula: C32H44O14 MolecularWeight: 652.68336

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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(CCCCCC(=O)O)CCCCC(=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(CCCCCC(=O)O)CCCCC(=O)O.C(CCO)CO

InChI

InChI=1S/C12H22O4.2C8H6O4.C4H10O2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;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/h1-10H2,(H,13,14)(H,15,16);2*1-4H,(H,9,10)(H,11,12);5-6H,1-4H2