2,3-bis[2,2-bis(hydroxymethyl)butyl]terephthalate

Systemtic Name: 2,3-bis[2,2-bis(hydroxymethyl)butyl]terephthalate Openeye Name: 2,3-bis[2,2-bis(hydroxymethyl)butyl]terephthalate CAS Name: 2,3-bis[2,2-bis(hydroxymethyl)butyl]terephthalate IUPAC Name: 2,3-bis[2,2-bis(hydroxymethyl)butyl]terephthalate Traditional Name: 2,3-bis(2,2-dimethylolbutyl)terephthalate Formula: C20H28O8-2 MolecularWeight: 396.43152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C=CC(=C1CC(CC)(CO)CO)C(=O)[O-])C(=O)[O-])(CO)CO

Isomeric SMILES

CCC(CC1=C(C=CC(=C1CC(CC)(CO)CO)C(=O)[O-])C(=O)[O-])(CO)CO

InChI

InChI=1S/C20H30O8/c1-3-19(9-21,10-22)7-15-13(17(25)26)5-6-14(18(27)28)16(15)8-20(4-2,11-23)12-24/h5-6,21-24H,3-4,7-12H2,1-2H3,(H,25,26)(H,27,28)/p-2