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(Q105179362)
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English
[4,5-Dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-3-yl] acetate
group of stereoisomers with the chemical formula C₁₆H₁₉NO₆S
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
353.093308328
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₉NO₆S
0 references
canonical SMILES
O=C(OC1C(OC2=CC=C(C=C2)CN=C=S)OC(C)C(O)C1O)C
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Identifiers
InChI
InChI=1S/C16H19NO6S/c1-9-13(19)14(20)15(22-10(2)18)16(21-9)23-12-5-3-11(4-6-12)7-17-8-24/h3-6,9,13-16,19-20H,7H2,1-2H3
0 references
InChIKey
NHFOSXIOFJJQTP-UHFFFAOYSA-N
0 references
PubChem CID
75242398
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NHFOSXIOFJJQTP-UHFFFAOYSA-N
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