4-(2-chloranyl-4-methylsulfonyl-phenoxy)-1-nitro-2-(phenylmethylsulfanyl)benzene

Systemtic Name: 4-(2-chloranyl-4-methylsulfonyl-phenoxy)-1-nitro-2-(phenylmethylsulfanyl)benzene Openeye Name: 2-benzylsulfanyl-4-(2-chloro-4-methylsulfonyl-phenoxy)-1-nitro-benzene CAS Name: 4-(2-chloro-4-methylsulfonylphenoxy)-1-nitro-2-(phenylmethylthio)benzene IUPAC Name: 2-benzylsulfanyl-4-(2-chloro-4-methylsulfonylphenoxy)-1-nitrobenzene Traditional Name: 2-(benzylthio)-4-(2-chloro-4-mesyl-phenoxy)-1-nitro-benzene Formula: C20H16ClNO5S2 MolecularWeight: 449.92774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H16ClNO5S2/c1-29(25,26)16-8-10-19(17(21)12-16)27-15-7-9-18(22(23)24)20(11-15)28-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3