(E)-4-(1-oxidanylbutoxy)-4-oxidanylidene-but-2-enoic acid; terephthalic acid

Systemtic Name: (E)-4-(1-oxidanylbutoxy)-4-oxidanylidene-but-2-enoic acid; terephthalic acid Openeye Name: (E)-4-(1-hydroxybutoxy)-4-oxo-but-2-enoic acid; terephthalic acid CAS Name: (E)-4-(1-hydroxybutoxy)-4-oxo-2-butenoic acid; terephthalic acid IUPAC Name: (E)-4-(1-hydroxybutoxy)-4-oxobut-2-enoic acid; terephthalic acid Traditional Name: (E)-4-(1-hydroxybutoxy)-4-keto-but-2-enoic acid; terephthalic acid Formula: C16H18O9 MolecularWeight: 354.30872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(O)OC(=O)C=CC(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCC(O)OC(=O)/C=C/C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C8H12O5.C8H6O4/c1-2-3-7(11)13-8(12)5-4-6(9)10;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-5,7,11H,2-3H2,1H3,(H,9,10);1-4H,(H,9,10)(H,11,12)/b5-4+;