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3-[(2-methylpropan-2-yl)oxycarbonyl]benzoate; terephthalate

3-[(2-methylpropan-2-yl)oxycarbonyl]benzoate; terephthalate

Systemtic Name:3-[(2-methylpropan-2-yl)oxycarbonyl]benzoate; terephthalate
Openeye Name:3-tert-butoxycarbonylbenzoate; terephthalate
CAS Name:3-[(2-methylpropan-2-yl)oxy-oxomethyl]benzoate; terephthalate
IUPAC Name:3-[(2-methylpropan-2-yl)oxycarbonyl]benzoate; terephthalate
Traditional Name:3-tert-butoxycarbonylbenzoate; terephthalate
Formula: C20H17O8-3
MolecularWeight: 385.34418
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H14O4.C8H6O4/c1-12(2,3)16-11(15)9-6-4-5-8(7-9)10(13)14;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-7H,1-3H3,(H,13,14);1-4H,(H,9,10)(H,11,12)/p-3


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