benzene-1,3-dicarboxylate; ethene; terephthalate

Systemtic Name: benzene-1,3-dicarboxylate; ethene; terephthalate Openeye Name: benzene-1,3-dicarboxylate; ethylene; terephthalate CAS Name: benzene-1,3-dicarboxylate; ethene; terephthalate IUPAC Name: benzene-1,3-dicarboxylate; ethene; terephthalate Traditional Name: ethylene; isophthalate; terephthalate Formula: C20H16O8-4 MolecularWeight: 384.33624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O4.2C2H4/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;2*1-2/h2*1-4H,(H,9,10)(H,11,12);2*1-2H2/p-4