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: CNEADBPJIPHAPD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28527090

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H29NO6/c1-10(24)5-7-21-14-6-8-23(21)13-9-15(21)28-22(14)16(13)11(2)18(29-22)19-17(26-4)12(3)20(25)27-19/h10-11,13-16,24H,5-9H2,1-4H3/b19-18-/t10-,11+,13+,14+,15+,16-,21+,22-/m1/s1
C22H29NO6403.46882200
28527092

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H29NO6/c1-10(24)5-7-21-14-6-8-23(21)13-9-15(21)28-22(14)16(13)11(2)18(29-22)19-17(26-4)12(3)20(25)27-19/h10-11,13-16,24H,5-9H2,1-4H3/b19-18-/t10?,11-,13-,14-,15-,16+,21-,22+/m0/s1
C22H29NO6403.46882200
24674185

Double-bond stereo

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C22H29NO6/c1-10(24)5-7-21-14-6-8-23(21)13-9-15(21)28-22(14)16(13)11(2)18(29-22)19-17(26-4)12(3)20(25)27-19/h10-11,13-16,24H,5-9H2,1-4H3/b19-18-/t10-,11+,13?,14?,15?,16?,21?,22+/m0/s1
C22H29NO6403.46881100
24676709

Double-bond stereo

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C22H29NO6/c1-10(24)5-7-21-14-6-8-23(21)13-9-15(21)28-22(14)16(13)11(2)18(29-22)19-17(26-4)12(3)20(25)27-19/h10-11,13-16,24H,5-9H2,1-4H3/b19-18-/t10-,11-,13?,14?,15?,16?,21?,22-/m1/s1
C22H29NO6403.46881100

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