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
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Found 26 results

Search term: HBOMLICNUCNMMY (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32555

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
C10H13N5O4267.2413148446701157
397726

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8-/m1/s1
C10H13N5O4267.2413403800
5524

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)
C10H13N5O4267.241336459800
400651

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6?,7-,8-/m1/s1
C10H13N5O4267.2413201988141
27472548

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1/i10+2
C914CH13N5O4269.233911800
8396479

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8-/m0/s1
C10H13N5O4267.241310902
21240729

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8-/m1/s1
C10H13N5O4267.24137500
26943938

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6?,7?,8-/m1/s1
C10H13N5O4267.24136200
413005

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m1/s1
C10H13N5O4267.24136500
2497366

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8+/m0/s1
C10H13N5O4267.24135500
5145636

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8-/m0/s1
C10H13N5O4267.24135300
17464077

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8?/m0/s1
C10H13N5O4267.241359500
77499231

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1/i1D3
C10H10D3N5O4270.25984300
107442771

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8-/m1/s1/i1D3
C10H10D3N5O4270.25983300
9218928

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1/i12+1
C10H13N415NO4268.23472200
9272717

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1/i3T
C10H12TN5O4269.24942200
9452142

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8+/m1/s1
C10H13N5O4267.24132100
114394264

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6?,7-,8-/m1/s1/i10+2
C914CH13N5O4269.23391100
114394545

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8-/m1/s1/i10+1,12+1,15+1
C913CH13N315N2O4270.22081100
115010933

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m1/s1/i1+1D3
C913CH10D3N5O4271.25251100
12

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