3-isocyanatobenzenesulfonic acid

Systemtic Name: 3-isocyanatobenzenesulfonic acid Openeye Name: 3-isocyanatobenzenesulfonic acid CAS Name: 3-isocyanatobenzenesulfonic acid IUPAC Name: 3-isocyanatobenzenesulfonic acid Traditional Name: 3-isocyanatobesylic acid Formula: C7H5NO4S MolecularWeight: 199.1839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO4S/c9-5-8-6-2-1-3-7(4-6)13(10,11)12/h1-4H,(H,10,11,12)