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 12 results

Search term: NJBIVXMQFIQOGE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
87161

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6+/m0/s1
C10H12BrN5O3330.13871521211
223260

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)
C10H12BrN5O3330.138211800
35518669

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1
C10H12BrN5O3330.1385600
21473696

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5-,6+/m1/s1
C10H12BrN5O3330.1384300
29788849

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4?,5-,6-/m1/s1
C10H12BrN5O3330.1383300
5633261

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m0/s1
C10H12BrN5O3330.1383200
587928

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6-/m1/s1
C10H12BrN5O3330.1383300
643560

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6+/m1/s1
C10H12BrN5O3330.1383200
5032594

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5-,6+/m0/s1
C10H12BrN5O3330.1382100
8307059

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6?/m0/s1
C10H12BrN5O3330.1382100
58782454

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4?,5-,6-/m1/s1/i9+1,10+1,15+1
C813C2H12BrN415NO3333.11671100
107442730

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6+/m0/s1/i9+1,10+1,15+1
C813C2H12BrN415NO3333.11671100

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