2,5-diisothiocyanatobenzenesulfonate

Systemtic Name: 2,5-diisothiocyanatobenzenesulfonate Openeye Name: 2,5-diisothiocyanatobenzenesulfonate CAS Name: 2,5-diisothiocyanatobenzenesulfonate IUPAC Name: 2,5-diisothiocyanatobenzenesulfonate Traditional Name: 2,5-diisothiocyanatobesylate Formula: C8H3N2O3S3- MolecularWeight: 271.31602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])N=C=S

Isomeric SMILES

C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])N=C=S

InChI

InChI=1S/C8H4N2O3S3/c11-16(12,13)8-3-6(9-4-14)1-2-7(8)10-5-15/h1-3H,(H,11,12,13)/p-1