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 5 results

Search term: YGCXTGCCLCADLQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2411146

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H17N3O4/c1-12(2,3)19-11(18)15-5-8-7(13-6-14-8)4-9(15)10(16)17/h6,9H,4-5H2,1-3H3,(H,13,14)(H,16,17)
C12H17N3O4267.2811393200
963148

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17N3O4/c1-12(2,3)19-11(18)15-5-8-7(13-6-14-8)4-9(15)10(16)17/h6,9H,4-5H2,1-3H3,(H,13,14)(H,16,17)/t9-/m0/s1
C12H17N3O4267.2811372900
963151

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17N3O4/c1-12(2,3)19-11(18)15-5-8-7(13-6-14-8)4-9(15)10(16)17/h6,9H,4-5H2,1-3H3,(H,13,14)(H,16,17)/t9-/m1/s1
C12H17N3O4267.28115300
5340777

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17N3O4/c1-12(2,3)19-11(18)15-5-8-7(13-6-14-8)4-9(15)10(16)17/h6,9H,4-5H2,1-3H3,(H,13,14)(H,16,17)/p-1/t9-/m1/s1
C12H16N3O4266.27371100
5340778

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17N3O4/c1-12(2,3)19-11(18)15-5-8-7(13-6-14-8)4-9(15)10(16)17/h6,9H,4-5H2,1-3H3,(H,13,14)(H,16,17)/p-1/t9-/m0/s1
C12H16N3O4266.27371100

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