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Silica aerogel

PropertiesImage
MNX_IDMNXM130626 Image of MNXM130626
referencechebi:176123
formulaC23H22N2O3S2
global charge0
mol weight438.574
InChIKeyUCVZLNNJKDOOBO-UHFFFAOYSA-N
InChIInChI=1S/C23H22N2O3S2/c1-15-4-6-17(7-5-15)21(27)14-30-23-24-16(2)12-22(25-23)29-13-20(26)18-8-10-19(28-3)11-9-18/h4-12H,13-14H2,1-3H3
SMILESCOC1=CC=C(C(=O)CSC2=NC(SCC(=O)C3=CC=C(C)C=C3)=NC(C)=C2)C=C1
MNX internals
InChI (mnx)InChI=1/C23H22N2O3S2/c1-15-4-6-17(7-5-15)21(27)14-30-23-24-16(2)12-22(25-23)29-13-20(26)18-8-10-19(28-3)11-9-18/h4-12H,13-14H2,1-3H3 Image of MNXM130626
SMILES (mnx)[CH3:1][C:15]1=[CH:5][CH:7]=[C:17]([C:21]([CH2:14][S:30][C:23]2=[N:24][C:16]([CH3:2])=[CH:12][C:22]([S:29][CH2:13][C:20]([C:18]3=[CH:9][CH:11]=[C:19]([O:28][CH3:3])[CH:10]=[CH:8]3)=[O:26])=[N:25]2)=[O:27])[CH:6]=[CH:4]1
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:176123
chebi:176123
UCVZLNNJKDOOBO-UHFFFAOYSA-N
Silica aerogel
1-(4-methoxyphenyl)-2-[6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulanylpyrimidin-4-yl]sulanylethanone
hmdb:HMDB0032503
UCVZLNNJKDOOBO-UHFFFAOYSA-N
Silica aerogel
1-(4-Methoxyphenyl)-2-[(6-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulphanyl}pyrimidin-4-yl)sulphanyl]ethan-1-one
1-(4-methoxyphenyl)-2-[(6-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)sulfanyl]ethan-1-one
1-(4-methoxyphenyl)-2-[(6-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)sulfanyl]ethanone

hmdb:HMDB32503
secondary/obsolete/fantasy identifier