5-isothiocyanato-2-(4-isothiocyanato-2-sulfo-phenyl)benzenesulfonic acid

Systemtic Name: 5-isothiocyanato-2-(4-isothiocyanato-2-sulfo-phenyl)benzenesulfonic acid Openeye Name: 5-isothiocyanato-2-(4-isothiocyanato-2-sulfo-phenyl)benzenesulfonic acid CAS Name: 5-isothiocyanato-2-(4-isothiocyanato-2-sulfophenyl)benzenesulfonic acid IUPAC Name: 5-isothiocyanato-2-(4-isothiocyanato-2-sulfophenyl)benzenesulfonic acid Traditional Name: 5-isothiocyanato-2-(4-isothiocyanato-2-sulfo-phenyl)besylic acid Formula: C14H8N2O6S4 MolecularWeight: 428.48312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)C2=C(C=C(C=C2)N=C=S)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)C2=C(C=C(C=C2)N=C=S)S(=O)(=O)O

InChI

InChI=1S/C14H8N2O6S4/c17-25(18,19)13-5-9(15-7-23)1-3-11(13)12-4-2-10(16-8-24)6-14(12)26(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)