[2-(3,4-dichlorophenyl)-5-ethyl-pyrazol-3-yl] naphthalene-1-sulfonate

Systemtic Name: [2-(3,4-dichlorophenyl)-5-ethyl-pyrazol-3-yl] naphthalene-1-sulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-ethyl-pyrazol-3-yl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [2-(3,4-dichlorophenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5-ethylpyrazol-3-yl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [2-(3,4-dichlorophenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C21H16Cl2N2O3S MolecularWeight: 447.33434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H16Cl2N2O3S/c1-2-15-12-21(25(24-15)16-10-11-18(22)19(23)13-16)28-29(26,27)20-9-5-7-14-6-3-4-8-17(14)20/h3-13H,2H2,1H3