1,4-dimethylbenzene; terephthalic acid

Systemtic Name: 1,4-dimethylbenzene; terephthalic acid Openeye Name: p-xylene; terephthalic acid CAS Name: terephthalic acid; 1,4-xylene IUPAC Name: terephthalic acid; 1,4-xylene Traditional Name: p-xylene; terephthalic acid Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4.C8H10/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-7-3-5-8(2)6-4-7/h1-4H,(H,9,10)(H,11,12);3-6H,1-2H3