benzene-1,3-dicarboxylic acid; 1,4-dimethylidenecyclohexane; terephthalic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 1,4-dimethylidenecyclohexane; terephthalic acid Openeye Name: 1,4-dimethylenecyclohexane; isophthalic acid; terephthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 1,4-dimethylenecyclohexane; terephthalic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 1,4-dimethylidenecyclohexane; terephthalic acid Traditional Name: 1,4-dimethylenecyclohexane; isophthalic acid; terephthalic acid Formula: C24H24O8 MolecularWeight: 440.44256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1CCC(=C)CC1.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

C=C1CCC(=C)CC1.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/2C8H6O4.C8H12/c9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;1-7-3-5-8(2)6-4-7/h2*1-4H,(H,9,10)(H,11,12);1-6H2