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 68 results

Search term: UHDGCWIWMRVCDJ (Found by InChIKey (skeleton match))
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6017

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
C9H13N3O5243.21661622377642620
5940


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
C9H13N3O5243.21661543366025859
109591

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m0/s1
C9H13N3O5243.2166523700
141201

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7-,8-/m1/s1
C9H13N3O5243.2166302700
102689

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8?/m1/s1
C9H13N3O5243.2166256710990
4642603

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8?/m1/s1
C9H13N3O5243.2166242000
21111837

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6?,7?,8-/m1/s1
C9H13N3O5243.21661819360416
17339927

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1/i1T
C9H12TN3O5245.2247121000
399454

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8+/m0/s1
C9H13N3O5243.216612800
1062947

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8+/m1/s1
C9H13N3O5243.2166121100
52564212

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1/i7+1
C813CH13N3O5244.2093111100
34998152

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1/i1D,2D
C9H11D2N3O5245.2289101500
4980896

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7-,8-/m0/s1
C9H13N3O5243.216610800
4978106

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m0/s1
C9H13N3O5243.21669400
34998097

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1/i1D,2D
C9H11D2N3O5245.228991400
10587089

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8+/m1/s1
C9H13N3O5243.21668500
32821071

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1/i3D2
C9H11D2N3O5245.22897700
5145577

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7+,8-/m1/s1
C9H13N3O5243.21667800
77498967

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1/i1+1,2+1,5+1
C613C3H13N3O5246.19467800
5026150

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7+,8+/m1/s1
C9H13N3O5243.21666600
1234

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