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 23 results

Search term: LKAJKIOFIWVMDJ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23582


7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1
C21H32N2O328.49169311640119
5087

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)
C21H32N2O328.49161128900
32816902

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1/i3D3
C21H29D3N2O331.510191100
23089208

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14?,15?,16?,17?,19-,20-,21-/m0/s1
C21H32N2O328.49165239714
4937181

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15?,16?,17?,19?,20?,21-/m0/s1
C21H32N2O328.49163400
5290051

4 of 7 defined stereocentres - 4/7 defined

Non-standard isotope
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15?,16?,17?,19-,20-,21-/m0/s1/i3D3
C21H29D3N2O331.5100633300
58131788

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16+,17-,19-,20-,21-/m0/s1
C21H32N2O328.49162200
58145952

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16+,17+,19-,20-,21-/m0/s1
C21H32N2O328.49162200
62493025

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16+,17-,19+,20+,21-/m0/s1
C21H32N2O328.49162200
62493026

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15-,16-,17+,19+,20+,21+/m0/s1
C21H32N2O328.49162200
62539922

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15-,16+,17-,19+,20+,21+/m0/s1
C21H32N2O328.49162200
62606734

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15-,16+,17-,19+,20+,21-/m0/s1
C21H32N2O328.49162200
62668124

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15-,16-,17+,19+,20+,21+/m1/s1
C21H32N2O328.49162200
78076610

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m1/s1
C21H32N2O328.49161100
82963912

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19+,20+,21+/m0/s1
C21H32N2O328.49161100
62344340

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15-,16+,17-,19-,20-,21-/m0/s1
C21H32N2O328.49161100
29788082

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14?,15-,16+,17?,19+,20+,21+/m1/s1
C21H32N2O328.49161100
12

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