1-[(2,5-dimethylphenyl)methylsulfonylmethyl]-2-methyl-3-nitro-benzene

Systemtic Name: 1-[(2,5-dimethylphenyl)methylsulfonylmethyl]-2-methyl-3-nitro-benzene Openeye Name: 1-[(2,5-dimethylphenyl)methylsulfonylmethyl]-2-methyl-3-nitro-benzene CAS Name: 1-[(2,5-dimethylphenyl)methylsulfonylmethyl]-2-methyl-3-nitrobenzene IUPAC Name: 1-[(2,5-dimethylphenyl)methylsulfonylmethyl]-2-methyl-3-nitrobenzene Traditional Name: 1-[(2,5-dimethylbenzyl)sulfonylmethyl]-2-methyl-3-nitro-benzene Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S/c1-12-7-8-13(2)16(9-12)11-23(21,22)10-15-5-4-6-17(14(15)3)18(19)20/h4-9H,10-11H2,1-3H3