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 9 results

Search term: GBBSUAFBMRNDJC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5533

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3
C17H17ClN6O3388.808312061267916
839530


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1
C17H17ClN6O3388.80839110879316
819484

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m1/s1
C17H17ClN6O3388.8083232700
23937391

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/i6D2,7D2,8D2,9D2
C17H9D8ClN6O3396.85769900
32675231

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/i8D2,9D2
C17H13D4ClN6O3392.832961100
107442511

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m1/s1/i6D2,7D2,8D2,9D2
C17H9D8ClN6O3396.85762200
28295671

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/i1D3
C17H14D3ClN6O3391.82682100
5328216

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/p+1/t16-/m1/s1
C17H18ClN6O3389.816222100
5329349

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/p+1/t16-/m0/s1
C17H18ClN6O3389.816221100

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