[4-[bis(chloranyl)methyl]-3-nitro-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[bis(chloranyl)methyl]-3-nitro-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(dichloromethyl)-3-nitro-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(dichloromethyl)-3-nitrophenyl] ester IUPAC Name: [4-(dichloromethyl)-3-nitrophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(dichloromethyl)-3-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=CC(=C(C=C2)C(Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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