1,2-dimethoxy-4-nitro-5-(phenylmethylsulfanyl)benzene

Systemtic Name: 1,2-dimethoxy-4-nitro-5-(phenylmethylsulfanyl)benzene Openeye Name: 1-benzylsulfanyl-4,5-dimethoxy-2-nitro-benzene CAS Name: 1,2-dimethoxy-4-nitro-5-(phenylmethylthio)benzene IUPAC Name: 1-benzylsulfanyl-4,5-dimethoxy-2-nitrobenzene Traditional Name: 1-(benzylthio)-4,5-dimethoxy-2-nitro-benzene Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])SCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])SCC2=CC=CC=C2)OC

InChI

InChI=1S/C15H15NO4S/c1-19-13-8-12(16(17)18)15(9-14(13)20-2)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3