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

Systemtic Name: disodium 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonato-phenyl)ethenyl]benzenesulfonate Openeye Name: disodium 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonato-phenyl)vinyl]benzenesulfonate CAS Name: disodium 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate IUPAC Name: disodium 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate Traditional Name: disodium 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonato-phenyl)vinyl]besylate Formula: C16H8N2Na2O6S4 MolecularWeight: 498.48406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O6S4.2Na/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24;;/h1-8H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b2-1+;;