2,2-bis(chloranyl)propanoate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium

Systemtic Name: 2,2-bis(chloranyl)propanoate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium Openeye Name: 2,2-dichloropropanoate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium CAS Name: 2,2-dichloropropanoate; 1,2-dimethyl-3,5-diphenylpyrazol-1-ium IUPAC Name: 2,2-dichloropropanoate; 1,2-dimethyl-3,5-diphenylpyrazol-1-ium Traditional Name: 2,2-dichloropropionate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium Formula: C20H20Cl2N2O2 MolecularWeight: 391.291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])(Cl)Cl.CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)[O-])(Cl)Cl.CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N2.C3H4Cl2O2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-3(4,5)2(6)7/h3-13H,1-2H3;1H3,(H,6,7)/q+1;/p-1