2-isothiocyanato-5-[(E)-2-(4-isothiocyanato-3-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 2-isothiocyanato-5-[(E)-2-(4-isothiocyanato-3-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 2-isothiocyanato-5-[(E)-2-(4-isothiocyanato-3-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 2-isothiocyanato-5-[(E)-2-(4-isothiocyanato-3-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 2-isothiocyanato-5-[(E)-2-(4-isothiocyanato-3-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 2-isothiocyanato-5-[(E)-2-(4-isothiocyanato-3-sulfo-phenyl)vinyl]besylic acid Formula: C16H10N2O6S4 MolecularWeight: 454.5204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC2=CC(=C(C=C2)N=C=S)S(=O)(=O)O)S(=O)(=O)O)N=C=S

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C2=CC(=C(C=C2)N=C=S)S(=O)(=O)O)S(=O)(=O)O)N=C=S

InChI

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