[2-[bis(chloranyl)methyl]-5-nitro-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[bis(chloranyl)methyl]-5-nitro-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(dichloromethyl)-5-nitro-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(dichloromethyl)-5-nitrophenyl] ester IUPAC Name: [2-(dichloromethyl)-5-nitrophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(dichloromethyl)-5-nitro-phenyl] ester Formula: C14H11Cl2NO5S MolecularWeight: 376.21184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])C(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])C(Cl)Cl

InChI

InChI=1S/C14H11Cl2NO5S/c1-9-2-5-11(6-3-9)23(20,21)22-13-8-10(17(18)19)4-7-12(13)14(15)16/h2-8,14H,1H3