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4-(2,2-dimethylpropoxycarbonyl)benzoate; terephthalate

4-(2,2-dimethylpropoxycarbonyl)benzoate; terephthalate

Systemtic Name:4-(2,2-dimethylpropoxycarbonyl)benzoate; terephthalate
Openeye Name:4-(2,2-dimethylpropoxycarbonyl)benzoate; terephthalate
CAS Name:4-[2,2-dimethylpropoxy(oxo)methyl]benzoate; terephthalate
IUPAC Name:4-(2,2-dimethylpropoxycarbonyl)benzoate; terephthalate
Traditional Name:4-neopentyloxycarbonylbenzoate; terephthalate
Formula: C21H19O8-3
MolecularWeight: 399.37076
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H16O4.C8H6O4/c1-13(2,3)8-17-12(16)10-6-4-9(5-7-10)11(14)15;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-7H,8H2,1-3H3,(H,14,15);1-4H,(H,9,10)(H,11,12)/p-3


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