4-isothiocyanatobenzenesulfonic acid; sodium

Systemtic Name: 4-isothiocyanatobenzenesulfonic acid; sodium Openeye Name: 4-isothiocyanatobenzenesulfonic acid; sodium CAS Name: 4-isothiocyanatobenzenesulfonic acid; sodium IUPAC Name: 4-isothiocyanatobenzenesulfonic acid; sodium Traditional Name: 4-isothiocyanatobesylic acid; sodium Formula: C7H5NNaO3S2 MolecularWeight: 238.23927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=CC=C1N=C=S)S(=O)(=O)O.[Na]

InChI

InChI=1S/C7H5NO3S2.Na/c9-13(10,11)7-3-1-6(2-4-7)8-5-12;/h1-4H,(H,9,10,11);