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: LLIPTMWIZVIUSX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4982953

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3,10H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
C9H13N3O5243.2166604400
58806623

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3,10H2,(H,11,14,16)/t4-,6+,7-,8-/m1/s1
C9H13N3O5243.21666500
10662646

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H13N3O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3,10H2,(H,11,14,16)
C9H13N3O5243.216631800
21375294

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3,10H2,(H,11,14,16)/t4-,6?,7-,8-/m1/s1
C9H13N3O5243.2166342513
29787096

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H13N3O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3,10H2,(H,11,14,16)/t4-,6?,7?,8-/m1/s1
C9H13N3O5243.21661100
57491828

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3,10H2,(H,11,14,16)/t4-,6-,7-,8-/m0/s1
C9H13N3O5243.21661100
114815875

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3,10H2,(H,11,14,16)/t4-,6-,7+,8-/m1/s1
C9H13N3O5243.21661100

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