Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 43 results

Search term: YKBGVTZYEHREMT (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
163230

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
C10H13N5O4267.24131272805596354
618

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)
C10H13N5O4267.241335154000
1155936

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-,6+/m0/s1
C10H13N5O4267.2413331600
588857

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6-/m1/s1
C10H13N5O4267.2413301900
13149

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6?/m0/s1
C10H13N5O4267.241325315596354
580971

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m1/s1
C10H13N5O4267.2413222400
9186146

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6-/m0/s1
C10H13N5O4267.2413121000
17460960

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4?,5-,6-/m1/s1
C10H13N5O4267.24131153231203
24765652

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-,6+/m1/s1
C10H13N5O4267.24137500
422522

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-,6-/m0/s1
C10H13N5O4267.24137600
19992520

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-,6-/m1/s1
C10H13N5O4267.24135400
57267562

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1
13C10H1315N5O4282.13494200
58781106

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-,6-/m1/s1/i11+1,12+1,13+1,14+1,15+1
C10H1315N5O4272.20844300
77499145

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1/i10+1,11+1,14+1
C913CH13N315N2O4270.22083200
57268136

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1/i11+1,12+1,13+1,14+1,15+1
C10H1315N5O4272.20843300
8715346

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1/i11+1,12+1,14+1
C10H13N215N3O4270.22152100
8715409

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1/i10+1,11+1,13+1,14+1
C913CH13N215N3O4271.21422100
8906136

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1/i10+1,11+1,12+1,14+1
C913CH13N215N3O4271.21422100
8977261

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1/i11+1,13+1,14+1
C10H13N215N3O4270.22152100
9066232

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1/i3+1,11+1,12+1,14+1
C913CH13N215N3O4271.21422100
123

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