2-isothiocyanatobenzenesulfonic acid

Systemtic Name: 2-isothiocyanatobenzenesulfonic acid Openeye Name: 2-isothiocyanatobenzenesulfonic acid CAS Name: 2-isothiocyanatobenzenesulfonic acid IUPAC Name: 2-isothiocyanatobenzenesulfonic acid Traditional Name: 2-isothiocyanatobesylic acid Formula: C7H5NO3S2 MolecularWeight: 215.2495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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