2,3-bis(2-oxidanylbutyl)terephthalate

Systemtic Name: 2,3-bis(2-oxidanylbutyl)terephthalate Openeye Name: 2,3-bis(2-hydroxybutyl)terephthalate CAS Name: 2,3-bis(2-hydroxybutyl)terephthalate IUPAC Name: 2,3-bis(2-hydroxybutyl)terephthalate Traditional Name: 2,3-bis(2-hydroxybutyl)terephthalate Formula: C16H20O6-2 MolecularWeight: 308.3264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O6/c1-3-9(17)7-13-11(15(19)20)5-6-12(16(21)22)14(13)8-10(18)4-2/h5-6,9-10,17-18H,3-4,7-8H2,1-2H3,(H,19,20)(H,21,22)/p-2