1-[(4-methylphenyl)sulfonylmethyl]-3-nitro-benzene

Systemtic Name: 1-[(4-methylphenyl)sulfonylmethyl]-3-nitro-benzene Openeye Name: 1-nitro-3-(p-tolylsulfonylmethyl)benzene CAS Name: 1-[(4-methylphenyl)sulfonylmethyl]-3-nitrobenzene IUPAC Name: 1-[(4-methylphenyl)sulfonylmethyl]-3-nitrobenzene Traditional Name: 1-nitro-3-(tosylmethyl)benzene Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4S/c1-11-5-7-14(8-6-11)20(18,19)10-12-3-2-4-13(9-12)15(16)17/h2-9H,10H2,1H3