2-[2-(isothiocyanatomethyl)phenoxy]-6-methyl-oxane-3,4,5-triol

Systemtic Name: 2-[2-(isothiocyanatomethyl)phenoxy]-6-methyl-oxane-3,4,5-triol Openeye Name: 2-[2-(isothiocyanatomethyl)phenoxy]-6-methyl-tetrahydropyran-3,4,5-triol CAS Name: 2-[2-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol IUPAC Name: 2-[2-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol Traditional Name: 2-[2-(isothiocyanatomethyl)phenoxy]-6-methyl-tetrahydropyran-3,4,5-triol Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=CC=CC=C2CN=C=S)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)OC2=CC=CC=C2CN=C=S)O)O)O

InChI

InChI=1S/C14H17NO5S/c1-8-11(16)12(17)13(18)14(19-8)20-10-5-3-2-4-9(10)6-15-7-21/h2-5,8,11-14,16-18H,6H2,1H3