2-carboxyoxyethyl carbonate; ethanenitrile

Systemtic Name: 2-carboxyoxyethyl carbonate; ethanenitrile Openeye Name: acetonitrile; 2-carboxyoxyethyl carbonate CAS Name: acetonitrile; 2-carboxyoxyethyl carbonate IUPAC Name: acetonitrile; 2-carboxyoxyethyl carbonate Traditional Name: acetonitrile; 2-carboxyoxyethyl carbonate Formula: C6H8NO6- MolecularWeight: 190.13082

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C(COC(=O)[O-])OC(=O)O

Isomeric SMILES

CC#N.C(COC(=O)[O-])OC(=O)O

InChI

InChI=1S/C4H6O6.C2H3N/c5-3(6)9-1-2-10-4(7)8;1-2-3/h1-2H2,(H,5,6)(H,7,8);1H3/p-1