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 7 results

Search term: CKZJTNZSBMVFSU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
419076

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O5/c10-8-5(15)2-12(9(16)11-8)7-1-4(14)6(3-13)17-7/h2,4,6-7,13-15H,1,3H2,(H2,10,11,16)/t4-,6+,7+/m0/s1
C9H13N3O5243.2166343410
110544

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H13N3O5/c10-8-5(15)2-12(9(16)11-8)7-1-4(14)6(3-13)17-7/h2,4,6-7,13-15H,1,3H2,(H2,10,11,16)
C9H13N3O5243.216642100
21211372

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H13N3O5/c10-8-5(15)2-12(9(16)11-8)7-1-4(14)6(3-13)17-7/h2,4,6-7,13-15H,1,3H2,(H2,10,11,16)/t4-,6+,7+/m1/s1
C9H13N3O5243.21662300
58782744

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O5/c10-8-5(15)2-12(9(16)11-8)7-1-4(14)6(3-13)17-7/h2,4,6-7,13-15H,1,3H2,(H2,10,11,16)/t4-,6-,7-/m1/s1
C9H13N3O5243.21661100
58782757

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H13N3O5/c10-8-5(15)2-12(9(16)11-8)7-1-4(14)6(3-13)17-7/h2,4,6-7,13-15H,1,3H2,(H2,10,11,16)/t4-,6-,7-/m1/s1/i9+1,11+1,12+1
C813CH13N15N2O5246.19611100
107442715

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H13N3O5/c10-8-5(15)2-12(9(16)11-8)7-1-4(14)6(3-13)17-7/h2,4,6-7,13-15H,1,3H2,(H2,10,11,16)/t4-,6+,7+/m0/s1/i9+1,11+1,12+1
C813CH13N15N2O5246.19611300
111313064

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H13N3O5/c10-8-5(15)2-12(9(16)11-8)7-1-4(14)6(3-13)17-7/h2,4,6-7,13-15H,1,3H2,(H2,10,11,16)/t4-,6+,7+/m1/s1/i9+1,11+1,12+1
C813CH13N15N2O5246.19611100

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