(E)-but-1-ene-1,4-diol; (E)-but-2-ene-1,4-diol; terephthalic acid

Systemtic Name: (E)-but-1-ene-1,4-diol; (E)-but-2-ene-1,4-diol; terephthalic acid Openeye Name: (E)-but-1-ene-1,4-diol; (E)-but-2-ene-1,4-diol; terephthalic acid CAS Name: (E)-1-butene-1,4-diol; (E)-2-butene-1,4-diol; terephthalic acid IUPAC Name: (E)-but-1-ene-1,4-diol; (E)-but-2-ene-1,4-diol; terephthalic acid Traditional Name: (E)-but-1-ene-1,4-diol; (E)-but-2-ene-1,4-diol; terephthalic acid Formula: C16H22O8 MolecularWeight: 342.34108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)/C=C/O.C(/C=C/CO)O

InChI

InChI=1S/C8H6O4.2C4H8O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*5-3-1-2-4-6/h1-4H,(H,9,10)(H,11,12);1,3,5-6H,2,4H2;1-2,5-6H,3-4H2/b;3-1+;2-1+