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

Systemtic Name: disodium 5-isothiocyanato-2-[2-(2-sulfonato-4-thiocyanato-phenyl)ethenyl]benzenesulfonate Openeye Name: disodium 5-isothiocyanato-2-[2-(2-sulfonato-4-thiocyanato-phenyl)vinyl]benzenesulfonate CAS Name: disodium 5-isothiocyanato-2-[2-(2-sulfonato-4-thiocyanatophenyl)ethenyl]benzenesulfonate IUPAC Name: disodium 5-isothiocyanato-2-[2-(2-sulfonato-4-thiocyanatophenyl)ethenyl]benzenesulfonate Traditional Name: disodium 5-isothiocyanato-2-[2-(2-sulfonato-4-thiocyanato-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)SC#N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O6S4.2Na/c17-9-26-14-6-4-12(16(8-14)28(22,23)24)2-1-11-3-5-13(18-10-25)7-15(11)27(19,20)21;;/h1-8H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2