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 10 results

Search term: GAKJJSAXUFZQTL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
147452

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O4S/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
C9H13N3O4S259.2822312900
230700

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H13N3O4S/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)
C9H13N3O4S259.28226400
430984

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O4S/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
C9H13N3O4S259.28226500
21210943

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H13N3O4S/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
C9H13N3O4S259.28223500
62300595

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O4S/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
C9H13N3O4S259.28222200
8118724

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O4S/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
C9H13N3O4S259.28222100
9283180

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O4S/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
C9H13N3O4S259.28222100
9348066

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O4S/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
C9H13N3O4S259.28222100
114394324

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C9H13N3O4S/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
C9H12TN3O4S261.29031100
114394325

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C9H13N3O4S/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
C9H12TN3O4S261.29031100

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