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: QNBYCZTZNOVDMI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5382048

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t7-,9-,10-/m0/s1
C12H20N4O3268.3122151300
16568325

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
C12H20N4O3268.31224714125
49732374

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t7-,9?,10-/m0/s1
C12H20N4O3268.31221100
49745470

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t7-,9+,10-/m0/s1
C12H20N4O3268.31221100
49745485

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t7?,9-,10?/m1/s1
C12H20N4O3268.31221100
50826889

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t7?,9-,10+/m1/s1
C12H20N4O3268.31221100
55917942

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t7?,9?,10-/m0/s1
C12H20N4O3268.31221100
115068234

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t7?,9-,10-/m0/s1
C12H20N4O3268.31221100
115068623

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t7?,9-,10?/m0/s1
C12H20N4O3268.31221100

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