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 23 results

Search term: ASUCSHXLTWZYBA (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83930

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1
C10H12BrN5O5362.13681027542417
223252

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)
C10H12BrN5O5362.1368478800
21242783

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4+,5?,8-/m1/s1
C10H12BrN5O5362.13687700
1379424

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m0/s1
C10H12BrN5O5362.13686400
17346365

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2?,4?,5?,8-/m1/s1
C10H12BrN5O5362.13685400
1267854

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5+,8+/m0/s1
C10H12BrN5O5362.13684300
21326189

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4?,5?,8-/m1/s1
C10H12BrN5O5362.13684300
23210743

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4?,5+,8-/m1/s1
C10H12BrN5O5362.13683300
24633129

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5+,8+/m1/s1
C10H12BrN5O5362.13683300
5028097

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8+/m0/s1
C10H12BrN5O5362.13683200
24751024

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4?,5-,8+/m0/s1
C10H12BrN5O5362.13683100
5426124

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5+,8-/m1/s1
C10H12BrN5O5362.13683200
67029554

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4+,5-,8-/m1/s1
C10H12BrN5O5362.13683400
77498951

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1/i10+1,12+1,15+1
C913CH12BrN315N2O5365.11633400
5426125

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4+,5-,8+/m0/s1
C10H12BrN5O5362.13682100
50644978

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4?,5+,8-/m0/s1
C10H12BrN5O5362.13682100
57268546

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1/i9+2
C914CH12BrN5O5364.12932100
62450293

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4+,5+,8+/m1/s1
C10H12BrN5O5362.13682200
5426123

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4+,5+,8-/m1/s1
C10H12BrN5O5362.13682100
24654188

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8?/m1/s1
C10H12BrN5O5362.13682200
12

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