pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-nitro-benzenesulfonate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-nitro-benzenesulfonate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-nitro-benzenesulfonate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-nitrobenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-nitrobenzenesulfonate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-nitro-benzenesulfonic acid pyridazin-4-yl ester Formula: C20H16ClN3O6S MolecularWeight: 461.87554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=CC(=C(C=C2[N+](=O)[O-])Cl)S(=O)(=O)OC3=CN=NC=C3)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=CC(=C(C=C2[N+](=O)[O-])Cl)S(=O)(=O)OC3=CN=NC=C3)C4CC4

InChI

InChI=1S/C20H16ClN3O6S/c1-12-3-2-4-15(13-5-6-13)20(12)29-18-10-19(16(21)9-17(18)24(25)26)31(27,28)30-14-7-8-22-23-11-14/h2-4,7-11,13H,5-6H2,1H3