2-[4-[5-[4,5-bis(chloranyl)-2-methyl-phenyl]-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[4-[5-[4,5-bis(chloranyl)-2-methyl-phenyl]-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[4-[5-(4,5-dichloro-2-methyl-phenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[4-[5-(4,5-dichloro-2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl ester IUPAC Name: 2-[4-[5-(4,5-dichloro-2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[4-[3-(4,5-dichloro-2-methyl-phenyl)-2-pyrazolin-1-yl]phenyl]sulfonylethyl ester Formula: C18H18Cl2N2O6S2 MolecularWeight: 493.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(CC2)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(CC2)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O6S2/c1-12-10-16(19)17(20)11-15(12)18-6-7-22(21-18)13-2-4-14(5-3-13)29(23,24)9-8-28-30(25,26)27/h2-5,10-11H,6-9H2,1H3,(H,25,26,27)