sodium 5-azanyl-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]benzenesulfonate

Systemtic Name: sodium 5-azanyl-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]benzenesulfonate Openeye Name: sodium 5-amino-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]benzenesulfonate CAS Name: sodium 5-amino-2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate IUPAC Name: sodium 5-amino-2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate Traditional Name: sodium 5-amino-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]besylate Formula: C14H10N2NaO8S2- MolecularWeight: 421.35757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H12N2O8S2.Na/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24;/h1-8H,15H2,(H,19,20,21)(H,22,23,24);/q;+1/p-2/b2-1+;