2-methylpropanedioate; quinolin-1-ium

Systemtic Name: 2-methylpropanedioate; quinolin-1-ium Openeye Name: 2-methylpropanedioate; quinolin-1-ium CAS Name: 2-methylpropanedioate; quinolin-1-ium IUPAC Name: 2-methylpropanedioate; quinolin-1-ium Traditional Name: 2-methylmalonate; quinolin-1-ium Formula: C13H12NO4- MolecularWeight: 246.23868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])C(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

Isomeric SMILES

CC(C(=O)[O-])C(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

InChI

InChI=1S/C9H7N.C4H6O4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2(3(5)6)4(7)8/h1-7H;2H,1H3,(H,5,6)(H,7,8)/p-1