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

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)ethanoate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium Openeye Name: 2-(4-chloro-2-methyl-phenoxy)acetate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium CAS Name: 2-(4-chloro-2-methylphenoxy)acetate; 1,2-dimethyl-3,5-diphenylpyrazol-1-ium IUPAC Name: 2-(4-chloro-2-methylphenoxy)acetate; 1,2-dimethyl-3,5-diphenylpyrazol-1-ium Traditional Name: 2-(4-chloro-2-methyl-phenoxy)acetate; 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N2.C9H9ClO3/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-6-4-7(10)2-3-8(6)13-5-9(11)12/h3-13H,1-2H3;2-4H,5H2,1H3,(H,11,12)/q+1;/p-1