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

Systemtic Name: 3-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide; 2-oxidanylethanesulfonic acid; hydrate Openeye Name: 2-hydroxyethanesulfonic acid; 3-nitro-N'-[(E)-2-(4-nitrophenyl)vinyl]benzamidine; hydrate CAS Name: 2-hydroxyethanesulfonic acid; 3-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide; hydrate IUPAC Name: 2-hydroxyethanesulfonic acid; 3-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide; hydrate Traditional Name: 2-hydroxyethanesulfonic acid; 3-nitro-N'-[(E)-2-(4-nitrophenyl)vinyl]benzamidine; hydrate Formula: C17H20N4O9S MolecularWeight: 456.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=NC=CC2=CC=C(C=C2)[N+](=O)[O-])N.C(CS(=O)(=O)O)O.O

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O4.C2H6O4S.H2O/c16-15(12-2-1-3-14(10-12)19(22)23)17-9-8-11-4-6-13(7-5-11)18(20)21;3-1-2-7(4,5)6;/h1-10H,(H2,16,17);3H,1-2H2,(H,4,5,6);1H2/b9-8+;;