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 6 results

Search term: XJTOZJAEUQGOBW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2152926

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H27FO6/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-6-8-14(22)9-7-13/h6-9,11-12,16-18,26H,10H2,1-5H3
C21H27FO6394.4338832221300
5458447

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27FO6/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-6-8-14(22)9-7-13/h6-9,11-12,16-18,26H,10H2,1-5H3/t16-,17-,18+,21-/m0/s1
C21H27FO6394.43392100
5458448

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27FO6/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-6-8-14(22)9-7-13/h6-9,11-12,16-18,26H,10H2,1-5H3/t16-,17+,18+,21-/m0/s1
C21H27FO6394.43392100
5458449

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27FO6/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-6-8-14(22)9-7-13/h6-9,11-12,16-18,26H,10H2,1-5H3/t16-,17+,18-,21+/m1/s1
C21H27FO6394.43392100
953318

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27FO6/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-6-8-14(22)9-7-13/h6-9,11-12,16-18,26H,10H2,1-5H3/t16-,17-,18-,21+/m1/s1
C21H27FO6394.43392100
1137050

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27FO6/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-6-8-14(22)9-7-13/h6-9,11-12,16-18,26H,10H2,1-5H3/t16-,17+,18-,21-/m1/s1
C21H27FO6394.43392100

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