2-[1,1-bis(oxidanyl)butyl]terephthalate

Systemtic Name: 2-[1,1-bis(oxidanyl)butyl]terephthalate Openeye Name: 2-(1,1-dihydroxybutyl)terephthalate CAS Name: 2-(1,1-dihydroxybutyl)terephthalate IUPAC Name: 2-(1,1-dihydroxybutyl)terephthalate Traditional Name: 2-(1,1-dihydroxybutyl)terephthalate Formula: C12H12O6-2 MolecularWeight: 252.22008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1)C(=O)[O-])C(=O)[O-])(O)O

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)C(=O)[O-])C(=O)[O-])(O)O

InChI

InChI=1S/C12H14O6/c1-2-5-12(17,18)9-6-7(10(13)14)3-4-8(9)11(15)16/h3-4,6,17-18H,2,5H2,1H3,(H,13,14)(H,15,16)/p-2