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 8 results

Search term: NGGRGTWYSXYVDK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
91081

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
C9H12ClN3O4261.66233842100
301837

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)
C9H12ClN3O4261.6623101100
428821

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m1/s1
C9H12ClN3O4261.66233400
35518731

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6-,7-/m1/s1
C9H12ClN3O4261.66232300
62654926

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7-/m0/s1
C9H12ClN3O4261.66232200
111308382

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6-,7-/m0/s1
C9H12ClN3O4261.66231100
21218862

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6-,7+/m0/s1
C9H12ClN3O4261.66231100
29789097

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5?,6-,7-/m1/s1
C9H12ClN3O4261.66231100

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