(4-chloranyl-3-nitro-phenyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (4-chloranyl-3-nitro-phenyl)methyl 4-methylbenzenesulfonate Openeye Name: (4-chloro-3-nitro-phenyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-chloro-3-nitrophenyl)methyl ester IUPAC Name: (4-chloro-3-nitrophenyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-chloro-3-nitro-benzyl) ester Formula: C14H12ClNO5S MolecularWeight: 341.76678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H12ClNO5S/c1-10-2-5-12(6-3-10)22(19,20)21-9-11-4-7-13(15)14(8-11)16(17)18/h2-8H,9H2,1H3