1-methyl-2-nitro-4-(phenylmethyl)sulfonyl-benzene

Systemtic Name: 1-methyl-2-nitro-4-(phenylmethyl)sulfonyl-benzene Openeye Name: 4-benzylsulfonyl-1-methyl-2-nitro-benzene CAS Name: 1-methyl-2-nitro-4-(phenylmethyl)sulfonylbenzene IUPAC Name: 4-benzylsulfonyl-1-methyl-2-nitrobenzene Traditional Name: 4-benzylsulfonyl-1-methyl-2-nitro-benzene Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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