4-methoxy-2-[(4-methylphenyl)sulfonylmethyl]-1-nitro-benzene

Systemtic Name: 4-methoxy-2-[(4-methylphenyl)sulfonylmethyl]-1-nitro-benzene Openeye Name: 4-methoxy-1-nitro-2-(p-tolylsulfonylmethyl)benzene CAS Name: 4-methoxy-2-[(4-methylphenyl)sulfonylmethyl]-1-nitrobenzene IUPAC Name: 4-methoxy-2-[(4-methylphenyl)sulfonylmethyl]-1-nitrobenzene Traditional Name: 4-methoxy-1-nitro-2-(tosylmethyl)benzene Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H15NO5S/c1-11-3-6-14(7-4-11)22(19,20)10-12-9-13(21-2)5-8-15(12)16(17)18/h3-9H,10H2,1-2H3