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 5 results

Search term: WWRZQUIPJGHZFD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24661109

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10,13,15,18,20,24H,9,11H2,1-5H3,(H,23,26)/b8-6+,12-10+,19-16+/t13-,15+,18-,20-,22-/m1/s1
C22H29NO5387.46946540
27024390

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C22H29NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10,13,15,18,20,24H,9,11H2,1-5H3,(H,23,26)/b8-6+,12-10+,19-16+/t13-,15?,18?,20-,22?/m1/s1
C22H29NO5387.46941100
28289625

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C22H29NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10,13,15,18,20,24H,9,11H2,1-5H3,(H,23,26)/b8-6+,12-10+,19-16-/t13-,15?,18+,20?,22?/m1/s1
C22H29NO5387.46941100
58837290

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H29NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10,13,15,18,20,24H,9,11H2,1-5H3,(H,23,26)/b8-6+,12-10+,19-16-/t13-,15+,18?,20-,22?/m1/s1
C22H29NO5387.46941100
78440105

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10,13,15,18,20,24H,9,11H2,1-5H3,(H,23,26)/b8-6+,12-10u,19-16u/t13-,15+,18-,20-,22-/m1/s1
C22H29NO5387.46941100

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