1-isothiocyanatoethanesulfonic acid

Systemtic Name: 1-isothiocyanatoethanesulfonic acid Openeye Name: 1-isothiocyanatoethanesulfonic acid CAS Name: 1-isothiocyanatoethanesulfonic acid IUPAC Name: 1-isothiocyanatoethanesulfonic acid Traditional Name: 1-isothiocyanatoethanesulfonic acid Formula: C3H5NO3S2 MolecularWeight: 167.2067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H5NO3S2/c1-3(4-2-8)9(5,6)7/h3H,1H3,(H,5,6,7)