2,3-bis(2-methyl-3-oxidanyl-propyl)terephthalate

Systemtic Name: 2,3-bis(2-methyl-3-oxidanyl-propyl)terephthalate Openeye Name: 2,3-bis(3-hydroxy-2-methyl-propyl)terephthalate CAS Name: 2,3-bis(3-hydroxy-2-methylpropyl)terephthalate IUPAC Name: 2,3-bis(3-hydroxy-2-methylpropyl)terephthalate Traditional Name: 2,3-bis(3-hydroxy-2-methyl-propyl)terephthalate Formula: C16H20O6-2 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O6/c1-9(7-17)5-13-11(15(19)20)3-4-12(16(21)22)14(13)6-10(2)8-18/h3-4,9-10,17-18H,5-8H2,1-2H3,(H,19,20)(H,21,22)/p-2