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Butyl oleate sulfate

PropertiesImage
MNX_IDMNXM119963 Image of MNXM119963
referencechebi:175511
formulaC22H42O6S
global charge0
mol weight434.639
InChIKeyDCFGGGCMICWSJX-SNAWJCMRSA-N
InChIInChI=1S/C22H42O6S/c1-2-3-20-27-22(23)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-28-29(24,25)26/h4-5H,2-3,6-21H2,1H3,(H,24,25,26)/b5-4+
SMILESCCCCOC(=O)CCCCCCC/C=C/CCCCCCCCOS(=O)(=O)O
MNX internals
InChI (mnx)InChI=1/C22H42O6S/c1-2-3-20-27-22(23)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-28-29(24,25)26/h4-5H,2-3,6-21H2,1H3,(H,24,25,26)/b5-4+ Image of MNXM119963
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:20][O:27][C:22]([CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7]/[CH:5]=[CH:4]/[CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:21][O:28][S:29]([OH:24])(=[O:25])=[O:26])=[O:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175511
chebi:175511
DCFGGGCMICWSJX-SNAWJCMRSA-N 		Butyl oleate sulfate
butyl (E)-18-sulooxyoctadec-9-enoate
hmdb:HMDB0037511
DCFGGGCMICWSJX-SNAWJCMRSA-N 		Butyl oleate sulfate
(Sulfooxy)-9-octadecenoic acid, 1-butyl ester
1-Butyl (sulfooxy)-9-octadecenoate
1-Butyl (sulfooxy)oleate
1-Butyl (sulphooxy)-9-octadecenoate
9-Octadecenoic acid, (sulfooxy)-, 1-butyl ester
Butyl (sulfooxy)-9-octadecenoate, 9ci
Butyl oleate sulphate
Butyl oleate, sulfated
Butyl oleate, sulphated
Butyl oleic acid sulfuric acid
Butyl oleic acid sulphuric acid
Sulfated butyl oleate
[(9E)-18-butoxy-18-oxooctadec-9-en-1-yl]oxysulfonic acid
{[(9E)-18-butoxy-18-oxooctadec-9-en-1-yl]oxy}sulfonate
{[(9E)-18-butoxy-18-oxooctadec-9-en-1-yl]oxy}sulfonic acid
{[(9E)-18-butoxy-18-oxooctadec-9-en-1-yl]oxy}sulphonate
{[(9E)-18-butoxy-18-oxooctadec-9-en-1-yl]oxy}sulphonic acid

hmdb:HMDB37511 		secondary/obsolete/fantasy identifier