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

Systemtic Name: [2-(3,4-dichlorophenyl)-5-propyl-pyrazol-3-yl] naphthalene-1-sulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-propyl-pyrazol-3-yl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [2-(3,4-dichlorophenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5-propylpyrazol-3-yl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [2-(3,4-dichlorophenyl)-5-propyl-pyrazol-3-yl] ester Formula: C22H18Cl2N2O3S MolecularWeight: 461.36092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2O3S/c1-2-6-16-13-22(26(25-16)17-11-12-19(23)20(24)14-17)29-30(27,28)21-10-5-8-15-7-3-4-9-18(15)21/h3-5,7-14H,2,6H2,1H3