(2,4-dinitronaphthalen-1-yl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: (2,4-dinitronaphthalen-1-yl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: (2,4-dinitro-1-naphthyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (2,4-dinitro-1-naphthalenyl) ester IUPAC Name: (2,4-dinitronaphthalen-1-yl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid (2,4-dinitro-1-naphthyl) ester Formula: C19H13N3O11S2 MolecularWeight: 523.45002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O11S2/c1-35(31,32)11-6-7-17(15(8-11)21(26)27)34(30)10-18(23)33-19-13-5-3-2-4-12(13)14(20(24)25)9-16(19)22(28)29/h2-9H,10H2,1H3