sodium 4-isothiocyanatobenzenesulfonic acid

Systemtic Name: sodium 4-isothiocyanatobenzenesulfonic acid Openeye Name: sodium 4-isothiocyanatobenzenesulfonic acid CAS Name: sodium 4-isothiocyanatobenzenesulfonic acid IUPAC Name: sodium 4-isothiocyanatobenzenesulfonic acid Traditional Name: sodium 4-isothiocyanatobesylic acid 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);/q;+1