2-isothiocyanato-6-[(E)-2-(3-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 2-isothiocyanato-6-[(E)-2-(3-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 2-isothiocyanato-6-[(E)-2-(3-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 2-isothiocyanato-6-[(E)-2-(3-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 2-isothiocyanato-6-[(E)-2-(3-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 2-isothiocyanato-6-[(E)-2-(3-isothiocyanato-2-sulfo-phenyl)vinyl]besylic acid Formula: C16H10N2O6S4 MolecularWeight: 454.5204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O6S4/c19-27(20,21)15-11(3-1-5-13(15)17-9-25)7-8-12-4-2-6-14(18-10-26)16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b8-7+