4-(4-carboxyphenyl)benzoic acid; ethane-1,2-diol; terephthalic acid

Systemtic Name: 4-(4-carboxyphenyl)benzoic acid; ethane-1,2-diol; terephthalic acid Openeye Name: 4-(4-carboxyphenyl)benzoic acid; ethylene glycol; terephthalic acid CAS Name: 4-(4-carboxyphenyl)benzoic acid; ethane-1,2-diol; terephthalic acid IUPAC Name: 4-(4-carboxyphenyl)benzoic acid; ethane-1,2-diol; terephthalic acid Traditional Name: 4-(4-carboxyphenyl)benzoic acid; ethylene glycol; terephthalic acid Formula: C24H22O10 MolecularWeight: 470.42548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O

InChI

InChI=1S/C14H10O4.C8H6O4.C2H6O2/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18;9-7(10)5-1-2-6(4-3-5)8(11)12;3-1-2-4/h1-8H,(H,15,16)(H,17,18);1-4H,(H,9,10)(H,11,12);3-4H,1-2H2