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

Systemtic Name: sodium 5-azanyl-2-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]benzenesulfonate Openeye Name: sodium 5-amino-2-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]benzenesulfonate CAS Name: sodium 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonate IUPAC Name: sodium 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonate Traditional Name: sodium 5-amino-2-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]besylate Formula: C14H13N2NaO6S2 MolecularWeight: 392.38259

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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)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)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H14N2O6S2.Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22);/q;+1/p-1/b2-1+;