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

Systemtic Name: 1,2,5-trimethyl-3-(4-methylsulfonyl-2-nitro-phenoxy)benzene Openeye Name: 1,2,5-trimethyl-3-(4-methylsulfonyl-2-nitro-phenoxy)benzene CAS Name: 1,2,5-trimethyl-3-(4-methylsulfonyl-2-nitrophenoxy)benzene IUPAC Name: 1,2,5-trimethyl-3-(4-methylsulfonyl-2-nitrophenoxy)benzene Traditional Name: 1-(4-mesyl-2-nitro-phenoxy)-2,3,5-trimethyl-benzene Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C16H17NO5S/c1-10-7-11(2)12(3)16(8-10)22-15-6-5-13(23(4,20)21)9-14(15)17(18)19/h5-9H,1-4H3