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 4 results

Search term: NATOOCTZNLKFIB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4944312

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C29H46F2O2/c1-6-28(33,7-2)29(30,31)18-16-21(4)25-14-15-26-22(9-8-17-27(25,26)5)11-12-23-19-24(32)13-10-20(23)3/h11-12,21,24-26,32-33H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24+,25-,26?,27-/m1/s1
C29H46F2O2464.67116500
24823385

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H46F2O2/c1-6-28(33,7-2)29(30,31)18-16-21(4)25-14-15-26-22(9-8-17-27(25,26)5)11-12-23-19-24(32)13-10-20(23)3/h11-12,21,24-26,32-33H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24+,25-,26+,27-/m1/s1
C29H46F2O2464.67114400
23219432

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C29H46F2O2/c1-6-28(33,7-2)29(30,31)18-16-21(4)25-14-15-26-22(9-8-17-27(25,26)5)11-12-23-19-24(32)13-10-20(23)3/h11-12,21,24-26,32-33H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24+,25?,26?,27?/m1/s1
C29H46F2O2464.67111100

Advertisement