(3-chloranylsulfonyl-5-methyl-4-pyrazol-1-yl-phenyl) (4-methylphenyl) sulfate

Systemtic Name: (3-chloranylsulfonyl-5-methyl-4-pyrazol-1-yl-phenyl) (4-methylphenyl) sulfate Openeye Name: (3-chlorosulfonyl-5-methyl-4-pyrazol-1-yl-phenyl) p-tolyl sulfate CAS Name: sulfuric acid [3-chlorosulfonyl-5-methyl-4-(1-pyrazolyl)phenyl] (4-methylphenyl) ester IUPAC Name: (3-chlorosulfonyl-5-methyl-4-pyrazol-1-ylphenyl) (4-methylphenyl) sulfate Traditional Name: sulfuric acid (3-chlorosulfonyl-5-methyl-4-pyrazol-1-yl-phenyl) p-tolyl ester Formula: C17H15ClN2O6S2 MolecularWeight: 442.8938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)OC2=CC(=C(C(=C2)C)N3C=CC=N3)S(=O)(=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)OC2=CC(=C(C(=C2)C)N3C=CC=N3)S(=O)(=O)Cl

InChI

InChI=1S/C17H15ClN2O6S2/c1-12-4-6-14(7-5-12)25-28(23,24)26-15-10-13(2)17(20-9-3-8-19-20)16(11-15)27(18,21)22/h3-11H,1-2H3