disodium 5-azido-2-[(E)-2-(4-azido-2-sulfonato-phenyl)ethenyl]benzenesulfonate tetrahydrate

Systemtic Name: disodium 5-azido-2-[(E)-2-(4-azido-2-sulfonato-phenyl)ethenyl]benzenesulfonate tetrahydrate Openeye Name: disodium 5-azido-2-[(E)-2-(4-azido-2-sulfonato-phenyl)vinyl]benzenesulfonate tetrahydrate CAS Name: disodium 5-azido-2-[(E)-2-(4-azido-2-sulfonatophenyl)ethenyl]benzenesulfonate tetrahydrate IUPAC Name: disodium 5-azido-2-[(E)-2-(4-azido-2-sulfonatophenyl)ethenyl]benzenesulfonate tetrahydrate Traditional Name: disodium 5-azido-2-[(E)-2-(4-azido-2-sulfonato-phenyl)vinyl]besylate tetrahydrate Formula: C14H16N6Na2O10S2 MolecularWeight: 538.42058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N6O6S2.2Na.4H2O/c15-19-17-11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(18-20-16)8-14(10)28(24,25)26;;;;;;/h1-8H,(H,21,22,23)(H,24,25,26);;;4*1H2/q;2*+1;;;;/p-2/b2-1+;;;;;;