5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfinate

Systemtic Name: 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfinate Openeye Name: 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfinate CAS Name: 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfinate IUPAC Name: 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfinate Traditional Name: 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfinate Formula: C16H9N2O5S4- MolecularWeight: 437.51306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O5S4/c19-26(20)15-7-13(17-9-24)5-3-11(15)1-2-12-4-6-14(18-10-25)8-16(12)27(21,22)23/h1-8H,(H,19,20)(H,21,22,23)/p-1/b2-1+