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2-(2-isothiocyanatophenyl)oxane-3,4,5-triol

2-(2-isothiocyanatophenyl)oxane-3,4,5-triol

Systemtic Name:2-(2-isothiocyanatophenyl)oxane-3,4,5-triol
Openeye Name:2-(2-isothiocyanatophenyl)tetrahydropyran-3,4,5-triol
CAS Name:2-(2-isothiocyanatophenyl)oxane-3,4,5-triol
IUPAC Name:2-(2-isothiocyanatophenyl)oxane-3,4,5-triol
Traditional Name:2-(2-isothiocyanatophenyl)tetrahydropyran-3,4,5-triol
Formula: C12H13NO4S
MolecularWeight: 267.30092
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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)C2=CC=CC=C2N=C=S)O)O)O


Isomeric SMILES

C1C(C(C(C(O1)C2=CC=CC=C2N=C=S)O)O)O


InChI

InChI=1S/C12H13NO4S/c14-9-5-17-12(11(16)10(9)15)7-3-1-2-4-8(7)13-6-18/h1-4,9-12,14-16H,5H2


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