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

Systemtic Name: [1-[1-(3-chloranyl-4-methyl-phenyl)ethyl]-3-methyl-pyrazol-4-yl] 3,5-dinitrobenzenesulfonate Openeye Name: [1-[1-(3-chloro-4-methyl-phenyl)ethyl]-3-methyl-pyrazol-4-yl] 3,5-dinitrobenzenesulfonate CAS Name: 3,5-dinitrobenzenesulfonic acid [1-[1-(3-chloro-4-methylphenyl)ethyl]-3-methyl-4-pyrazolyl] ester IUPAC Name: [1-[1-(3-chloro-4-methylphenyl)ethyl]-3-methylpyrazol-4-yl] 3,5-dinitrobenzenesulfonate Traditional Name: 3,5-dinitrobenzenesulfonic acid [1-[1-(3-chloro-4-methyl-phenyl)ethyl]-3-methyl-pyrazol-4-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=C(C(=N2)C)OS(=O)(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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