ethene; oxirane; terephthalate

Systemtic Name: ethene; oxirane; terephthalate Openeye Name: ethylene; oxirane; terephthalate CAS Name: ethene; oxirane; terephthalate IUPAC Name: ethene; oxirane; terephthalate Traditional Name: ethylene; ethylene oxide; terephthalate Formula: C20H16O9-4 MolecularWeight: 400.33564

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Descriptors Computed from Structure

Canonical SMILES:

C=C.C1CO1.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C=C.C1CO1.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C8H6O4.C2H4O.C2H4/c2*9-7(10)5-1-2-6(4-3-5)8(11)12;1-2-3-1;1-2/h2*1-4H,(H,9,10)(H,11,12);1-2H2;1-2H2/p-4