(1S,2R)-3-(2-isothiocyanatoethyl)cyclohexa-3,5-diene-1,2-diol

Systemtic Name: (1S,2R)-3-(2-isothiocyanatoethyl)cyclohexa-3,5-diene-1,2-diol Openeye Name: (1S,2R)-3-(2-isothiocyanatoethyl)cyclohexa-3,5-diene-1,2-diol CAS Name: (1S,2R)-3-(2-isothiocyanatoethyl)cyclohexa-3,5-diene-1,2-diol IUPAC Name: (1S,2R)-3-(2-isothiocyanatoethyl)cyclohexa-3,5-diene-1,2-diol Traditional Name: (1S,2R)-3-(2-isothiocyanatoethyl)cyclohexa-3,5-diene-1,2-diol Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=C[C@@H]([C@@H](C(=C1)CCN=C=S)O)O

InChI

InChI=1S/C9H11NO2S/c11-8-3-1-2-7(9(8)12)4-5-10-6-13/h1-3,8-9,11-12H,4-5H2/t8-,9+/m0/s1