5-isothiocyanato-2-[2-(2-sulfo-4-thiocyanato-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-isothiocyanato-2-[2-(2-sulfo-4-thiocyanato-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-isothiocyanato-2-[2-(2-sulfo-4-thiocyanato-phenyl)vinyl]benzenesulfonic acid CAS Name: 5-isothiocyanato-2-[2-(2-sulfo-4-thiocyanatophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-isothiocyanato-2-[2-(2-sulfo-4-thiocyanatophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-isothiocyanato-2-[2-(2-sulfo-4-thiocyanato-phenyl)vinyl]besylic acid Formula: C16H10N2O6S4 MolecularWeight: 454.5204

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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

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

InChI

InChI=1S/C16H10N2O6S4/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)