2-[(Z)-1,2-diisothiocyanato-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 2-[(Z)-1,2-diisothiocyanato-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Openeye Name: 2-[(Z)-1,2-diisothiocyanato-2-(2-sulfophenyl)vinyl]benzenesulfonic acid CAS Name: 2-[(Z)-1,2-diisothiocyanato-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 2-[(Z)-1,2-diisothiocyanato-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 2-[(Z)-1,2-diisothiocyanato-2-(2-sulfophenyl)vinyl]besylic acid Formula: C16H10N2O6S4 MolecularWeight: 454.5204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=C(C2=CC=CC=C2S(=O)(=O)O)N=C=S)N=C=S)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C(=C(\C2=CC=CC=C2S(=O)(=O)O)/N=C=S)/N=C=S)S(=O)(=O)O

InChI

InChI=1S/C16H10N2O6S4/c19-27(20,21)13-7-3-1-5-11(13)15(17-9-25)16(18-10-26)12-6-2-4-8-14(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b16-15-