[2-[1-(3-chloranyl-4-methyl-phenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dinitrobenzenesulfonate

Systemtic Name: [2-[1-(3-chloranyl-4-methyl-phenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dinitrobenzenesulfonate Openeye Name: [2-[1-(3-chloro-4-methyl-phenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dinitrobenzenesulfonate CAS Name: 3,4-dinitrobenzenesulfonic acid [2-[1-(3-chloro-4-methylphenyl)ethyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(3-chloro-4-methylphenyl)ethyl]-5-methylpyrazol-3-yl] 3,4-dinitrobenzenesulfonate Traditional Name: 3,4-dinitrobenzenesulfonic acid [2-[1-(3-chloro-4-methyl-phenyl)ethyl]-5-methyl-pyrazol-3-yl] ester Formula: C19H17ClN4O7S MolecularWeight: 480.87888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O7S/c1-11-4-5-14(9-16(11)20)13(3)22-19(8-12(2)21-22)31-32(29,30)15-6-7-17(23(25)26)18(10-15)24(27)28/h4-10,13H,1-3H3