3-isothiocyanatobenzenesulfonic acid

Systemtic Name: 3-isothiocyanatobenzenesulfonic acid Openeye Name: 3-isothiocyanatobenzenesulfonic acid CAS Name: 3-isothiocyanatobenzenesulfonic acid IUPAC Name: 3-isothiocyanatobenzenesulfonic acid Traditional Name: 3-isothiocyanatobesylic acid Formula: C7H5NO3S2 MolecularWeight: 215.2495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)N=C=S

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)N=C=S

InChI

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