2-[2,4-bis(chloranyl)phenoxy]ethanoate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]ethanoate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium Openeye Name: 2-(2,4-dichlorophenoxy)acetate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium CAS Name: 2-(2,4-dichlorophenoxy)acetate; 1,2-dimethyl-3,5-diphenylpyrazol-1-ium IUPAC Name: 2-(2,4-dichlorophenoxy)acetate; 1,2-dimethyl-3,5-diphenylpyrazol-1-ium Traditional Name: 2-(2,4-dichlorophenoxy)acetate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium Formula: C25H22Cl2N2O3 MolecularWeight: 469.35978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=C(C=C1Cl)Cl)OCC(=O)[O-]

Isomeric SMILES

CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=C(C=C1Cl)Cl)OCC(=O)[O-]

InChI

InChI=1S/C17H17N2.C8H6Cl2O3/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h3-13H,1-2H3;1-3H,4H2,(H,11,12)/q+1;/p-1