(3-isocyanatophenyl)methanesulfonic acid

Systemtic Name: (3-isocyanatophenyl)methanesulfonic acid Openeye Name: (3-isocyanatophenyl)methanesulfonic acid CAS Name: (3-isocyanatophenyl)methanesulfonic acid IUPAC Name: (3-isocyanatophenyl)methanesulfonic acid Traditional Name: (3-isocyanatophenyl)methanesulfonic acid Formula: C8H7NO4S MolecularWeight: 213.21048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO4S/c10-6-9-8-3-1-2-7(4-8)5-14(11,12)13/h1-4H,5H2,(H,11,12,13)