sodium 3-isothiocyanatobenzenesulfonic acid

Systemtic Name: sodium 3-isothiocyanatobenzenesulfonic acid Openeye Name: sodium 3-isothiocyanatobenzenesulfonic acid CAS Name: sodium 3-isothiocyanatobenzenesulfonic acid IUPAC Name: sodium 3-isothiocyanatobenzenesulfonic acid Traditional Name: sodium 3-isothiocyanatobesylic acid Formula: C7H5NNaO3S2+ MolecularWeight: 238.23927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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