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 10 results

Search term: FBWQLTARTKWGMT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9152881

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H20O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h6-10H,1-5H3/t6-,7+,8+,9-,10-/m1/s1
C12H20O5244.2842382800
27474401

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H20O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h6-10H,1-5H3/t6-,7+,8+,9-,10-/m0/s1
C12H20O5244.284213900
21436186

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H20O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h6-10H,1-5H3/t6?,7-,8+,9?,10+/m0/s1
C12H20O5244.28427600
24590123

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C12H20O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h6-10H,1-5H3/t6-,7+,8+,9-,10?/m1/s1
C12H20O5244.28425100
19662020

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H20O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h6-10H,1-5H3
C12H20O5244.28422200
8975702

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C12H20O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h6-10H,1-5H3/t6-,7+,8+,9-,10-/m1/s1/i1D
C12H19DO5245.29042200
9098020

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H20O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h6-10H,1-5H3/t6-,7-,8-,9-,10-/m1/s1
C12H20O5244.28422100
62373394

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H20O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h6-10H,1-5H3/t6-,7+,8-,9-,10-/m1/s1
C12H20O5244.28422200
107443499

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H20O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h6-10H,1-5H3/t6-,7+,8?,9?,10-/m1/s1
C12H20O5244.28421100
57426607

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C12H20O5/c1-6-7-8(15-11(2,3)14-7)9-10(13-6)17-12(4,5)16-9/h6-10H,1-5H3/t6?,7-,8?,9?,10+/m0/s1
C12H20O5244.28421200

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