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 40 results

Search term: IWUCXVSUMQZMFG (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34439

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
C8H12N4O5244.2047155304717640
4888

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)
C8H12N4O5244.204747379671220
405256

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m0/s1
C8H12N4O5244.2047445200
5145981

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5?,8-/m1/s1
C8H12N4O5244.2047192400
9611341

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8+/m1/s1
C8H12N4O5244.2047192300
23089165

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4?,5+,8-/m1/s1
C8H12N4O5244.2047111400
23954659

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4?,5?,8-/m1/s1
C8H12N4O5244.20477800
57267977

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1/i6+1,7+1
C613C2H12N4O5246.196600
73983891

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1/i1+1,3+1,4+1,5+1,8+1
C313C5H12N4O5249.1686700
429425

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8?/m1/s1
C8H12N4O5244.20476600
5036682

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5-,8-/m0/s1
C8H12N4O5244.20476600
23977074

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5?,8+/m1/s1
C8H12N4O5244.20475500
7970587

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8+/m0/s1
C8H12N4O5244.20474500
1070231

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5-,8-/m1/s1
C8H12N4O5244.20474400
5036298

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5+,8+/m0/s1
C8H12N4O5244.20474400
5408939

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5-,8+/m0/s1
C8H12N4O5244.20473300
8395961

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8?/m0/s1
C8H12N4O5244.20473300
9622767

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5?,8-/m1/s1
C8H12N4O5244.20473300
10525378

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5+,8+/m1/s1
C8H12N4O5244.20473300
5026922

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5+,8+/m1/s1
C8H12N4O5244.20472200
12

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