N3-(nitromethylsulfonyl)-N3-phenyl-benzene-1,3-disulfonamide

Systemtic Name: N3-(nitromethylsulfonyl)-N3-phenyl-benzene-1,3-disulfonamide Openeye Name: N3-(nitromethylsulfonyl)-N3-phenyl-benzene-1,3-disulfonamide CAS Name: N3-(nitromethylsulfonyl)-N3-phenylbenzene-1,3-disulfonamide IUPAC Name: 3-N-(nitromethylsulfonyl)-3-N-phenylbenzene-1,3-disulfonamide Traditional Name: N'-(nitromethylsulfonyl)-N'-phenyl-benzene-1,3-disulfonamide Formula: C13H13N3O8S3 MolecularWeight: 435.45262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O8S3/c14-26(21,22)12-7-4-8-13(9-12)27(23,24)16(11-5-2-1-3-6-11)25(19,20)10-15(17)18/h1-9H,10H2,(H2,14,21,22)