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5-(3,4-diacetoxybut-1-ynyl)-2,2'-bithiophene

PropertiesImage
MNX_IDMNXM4382 Image of MNXM4382
referencechebi:16013
formulaC16H14O4S2
global charge0
mol weight334.418
InChIKeyRGIIXLVKXLFDLP-UHFFFAOYSA-N
InChIInChI=1S/C16H14O4S2/c1-11(17)19-10-13(20-12(2)18)5-6-14-7-8-16(22-14)15-4-3-9-21-15/h3-4,7-9,13H,10H2,1-2H3
SMILESCC(=O)OCC(C#CC1=CC=C(C2=CC=CS2)S1)OC(C)=O
MNX internals
InChI (mnx)InChI=1/C16H14O4S2/c1-11(17)19-10-13(20-12(2)18)5-6-14-7-8-16(22-14)15-4-3-9-21-15/h3-4,7-9,13H,10H2,1-2H3/t13? Image of MNXM4382
SMILES (mnx)[CH3:1][C:11](=[O:17])[O:19][CH2:10][CH:13]([C:5]#[C:6][C:14]1=[CH:7][CH:8]=[C:16]([C:15]2=[CH:4][CH:3]=[CH:9][S:21]2)[S:22]1)[O:20][C:12]([CH3:2])=[O:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16013
chebi:16013
RGIIXLVKXLFDLP-UHFFFAOYSA-N 		5-(3,4-diacetoxybut-1-ynyl)-2,2'-bithiophene
1-(2,2'-bithien-5-yl)but-1-yne-3,4-diyl diacetate
5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene

lipidmaps:LMFA12000357
lipidmapsM:LMFA12000357
RGIIXLVKXLFDLP-UHFFFAOYSA-N 		4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diyl diacetate
4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diyl diacetate

kegg.compound:C04606
keggC:C04606
RGIIXLVKXLFDLP-UHFFFAOYSA-N 		5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene

seed.compound:cpd02806
seedM:cpd02806
RGIIXLVKXLFDLP-UHFFFAOYSA-N 		5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene
5-(3,4-diacetoxybut-1-ynyl)-2,2'-bithiophene

metacyc.compound:5-34-DIACETOXYBUT-1-YNYL-22-BITHIOP
metacycM:5-34-DIACETOXYBUT-1-YNYL-22-BITHIOP
RGIIXLVKXLFDLP-UHFFFAOYSA-N 		5-(3,4-diacetoxybut-1-ynyl)-2,2'-bithiophene

chebi:12087
chebi:2014
chebi:20523
keggC:M_C04606
seedM:M_cpd02806 		secondary/obsolete/fantasy identifier