4-(nitromethylsulfonyl)-2-phenyl-benzene-1,3-disulfonamide

Systemtic Name: 4-(nitromethylsulfonyl)-2-phenyl-benzene-1,3-disulfonamide Openeye Name: 4-(nitromethylsulfonyl)-2-phenyl-benzene-1,3-disulfonamide CAS Name: 4-(nitromethylsulfonyl)-2-phenylbenzene-1,3-disulfonamide IUPAC Name: 4-(nitromethylsulfonyl)-2-phenylbenzene-1,3-disulfonamide Traditional Name: 4-(nitromethylsulfonyl)-2-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)C2=C(C=CC(=C2S(=O)(=O)N)S(=O)(=O)C[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2S(=O)(=O)N)S(=O)(=O)C[N+](=O)[O-])S(=O)(=O)N

InChI

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