1,4-dimethylcyclohexane; terephthalate

Systemtic Name: 1,4-dimethylcyclohexane; terephthalate Openeye Name: 1,4-dimethylcyclohexane; terephthalate CAS Name: 1,4-dimethylcyclohexane; terephthalate IUPAC Name: 1,4-dimethylcyclohexane; terephthalate Traditional Name: 1,4-dimethylcyclohexane; terephthalate Formula: C16H20O4-2 MolecularWeight: 276.3276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1CCC(CC1)C.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H6O4.C8H16/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);7-8H,3-6H2,1-2H3/p-2