2-(4-isothiocyanatophenyl)sulfonylethanol

Systemtic Name: 2-(4-isothiocyanatophenyl)sulfonylethanol Openeye Name: 2-(4-isothiocyanatophenyl)sulfonylethanol CAS Name: 2-(4-isothiocyanatophenyl)sulfonylethanol IUPAC Name: 2-(4-isothiocyanatophenyl)sulfonylethanol Traditional Name: 2-(4-isothiocyanatophenyl)sulfonylethanol Formula: C9H9NO3S2 MolecularWeight: 243.30266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)S(=O)(=O)CCO

Isomeric SMILES

C1=CC(=CC=C1N=C=S)S(=O)(=O)CCO

InChI

InChI=1S/C9H9NO3S2/c11-5-6-15(12,13)9-3-1-8(2-4-9)10-7-14/h1-4,11H,5-6H2