1,3,5-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-benzene

Systemtic Name: 1,3,5-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-benzene Openeye Name: 1,3,5-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-benzene CAS Name: 1,3,5-trimethyl-2-[(4-methylsulfonyl-2-nitrophenyl)thio]benzene IUPAC Name: 1,3,5-trimethyl-2-(4-methylsulfonyl-2-nitrophenyl)sulfanylbenzene Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-1,3,5-trimethyl-benzene Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H17NO4S2/c1-10-7-11(2)16(12(3)8-10)22-15-6-5-13(23(4,20)21)9-14(15)17(18)19/h5-9H,1-4H3