1,2-dimethoxy-4-(2-nitro-1-phenylsulfanyl-ethyl)benzene

Systemtic Name: 1,2-dimethoxy-4-(2-nitro-1-phenylsulfanyl-ethyl)benzene Openeye Name: 1,2-dimethoxy-4-(2-nitro-1-phenylsulfanyl-ethyl)benzene CAS Name: 1,2-dimethoxy-4-[2-nitro-1-(phenylthio)ethyl]benzene IUPAC Name: 1,2-dimethoxy-4-(2-nitro-1-phenylsulfanylethyl)benzene Traditional Name: 1,2-dimethoxy-4-[2-nitro-1-(phenylthio)ethyl]benzene Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2)OC

InChI

InChI=1S/C16H17NO4S/c1-20-14-9-8-12(10-15(14)21-2)16(11-17(18)19)22-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3