1,4-dimethylidenecyclohexane; terephthalate

Systemtic Name: 1,4-dimethylidenecyclohexane; terephthalate Openeye Name: 1,4-dimethylenecyclohexane; terephthalate CAS Name: 1,4-dimethylenecyclohexane; terephthalate IUPAC Name: 1,4-dimethylidenecyclohexane; terephthalate Traditional Name: 1,4-dimethylenecyclohexane; terephthalate Formula: C16H16O4-2 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CCC(=C)CC1.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C=C1CCC(=C)CC1.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H6O4.C8H12/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);1-6H2/p-2