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(Q105330436)
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English
(1E)-1-[(propane-1-sulfinyl)sulfanyl]prop-1-ene
group of stereoisomers with the chemical formula C₆H₁₂OS₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
164.032957004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₁₂OS₂
0 references
canonical SMILES
[O-][S+](SC=CC)CCC
0 references
isomeric SMILES
C/C=C/SS(=O)CCC
1 reference
based on heuristic
inferred from InChI
found in taxon
Allium ascalonicum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium cepa
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Welsh onion
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium ampeloprasum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium obliquum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium porrum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium schoenoprasum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Identifiers
InChI
InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
0 references
InChIKey
XLVMWOFYTFNDKM-HWKANZROSA-N
0 references
CAS Registry Number
119052-98-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14412547
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XLVMWOFYTFNDKM-HWKANZROSA-N
UniChem compound ID
67372354
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301258722
1 reference
matched by identifier from
InChIKey
InChIKey
XLVMWOFYTFNDKM-HWKANZROSA-N
KNApSAcK ID
C00056913
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XLVMWOFYTFNDKM-HWKANZROSA-N
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