1,2-diisothiocyanatobenzene sulfate

Systemtic Name: 1,2-diisothiocyanatobenzene sulfate Openeye Name: 1,2-diisothiocyanatobenzene sulfate CAS Name: 1,2-diisothiocyanatobenzene sulfate IUPAC Name: 1,2-diisothiocyanatobenzene sulfate Traditional Name: 1,2-diisothiocyanatobenzene sulfate Formula: C8H4N2O4S3-2 MolecularWeight: 288.32336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N=C=S)N=C=S.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N=C=S)N=C=S.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C8H4N2S2.H2O4S/c11-5-9-7-3-1-2-4-8(7)10-6-12;1-5(2,3)4/h1-4H;(H2,1,2,3,4)/p-2