4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide; 2-oxidanylethanesulfonic acid

Systemtic Name: 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide; 2-oxidanylethanesulfonic acid Openeye Name: 2-hydroxyethanesulfonic acid; 4-nitro-N'-[(E)-2-(4-nitrophenyl)vinyl]benzamidine CAS Name: 2-hydroxyethanesulfonic acid; 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide IUPAC Name: 2-hydroxyethanesulfonic acid; 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide Traditional Name: 2-hydroxyethanesulfonic acid; 4-nitro-N'-[(E)-2-(4-nitrophenyl)vinyl]benzamidine Formula: C17H18N4O8S MolecularWeight: 438.41182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CN=C(C2=CC=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-].C(CS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/N=C(C2=CC=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-].C(CS(=O)(=O)O)O

InChI

InChI=1S/C15H12N4O4.C2H6O4S/c16-15(12-3-7-14(8-4-12)19(22)23)17-10-9-11-1-5-13(6-2-11)18(20)21;3-1-2-7(4,5)6/h1-10H,(H2,16,17);3H,1-2H2,(H,4,5,6)/b10-9+;