[4-chloranyl-5-(4-methylphenyl)sulfonyloxy-2-[(E)-N-oxidanyl-C-phenyl-carbonimidoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-chloranyl-5-(4-methylphenyl)sulfonyloxy-2-[(E)-N-oxidanyl-C-phenyl-carbonimidoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-chloro-2-[(E)-N-hydroxy-C-phenyl-carbonimidoyl]-5-(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-chloro-2-[(E)-hydroxyimino(phenyl)methyl]-5-(4-methylphenyl)sulfonyloxyphenyl] ester IUPAC Name: [4-chloro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-chloro-2-[(E)-phenylcarbohydroximoyl]-5-tosyloxy-phenyl] ester Formula: C27H22ClNO7S2 MolecularWeight: 572.04908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2C(=NO)C3=CC=CC=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2/C(=N/O)/C3=CC=CC=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H22ClNO7S2/c1-18-8-12-21(13-9-18)37(31,32)35-25-17-26(36-38(33,34)22-14-10-19(2)11-15-22)24(28)16-23(25)27(29-30)20-6-4-3-5-7-20/h3-17,30H,1-2H3/b29-27+