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 20 results

Search term: NSYTUNFHWYMMHU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9295

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
C21H31NO2329.4763191600
544907

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3
C21H31NO2329.4763101300
4453361

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14?,15?,16?,17?,19-,20-,21-/m0/s1
C21H31NO2329.476310600
584976

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15-,16+,17+,19-,20+,21+/m0/s1
C21H31NO2329.47633200
1043305

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15+,16+,17-,19-,20+,21+/m0/s1
C21H31NO2329.47633200
58780621

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1/i3D3,9D2
C21H26D5NO2334.50712300
5294671

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15-,16+,17-,19-,20+,21+/m0/s1
C21H31NO2329.476342100
10056245

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15-,16+,17-,19-,20-,21-/m0/s1
C21H31NO2329.47632100
10056246

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15-,16-,17-,19-,20-,21-/m0/s1
C21H31NO2329.47632100
10056247

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15+,16+,17-,19-,20-,21-/m0/s1
C21H31NO2329.47632100
10081585

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15-,16+,17-,19-,20-,21+/m0/s1
C21H31NO2329.47632100
10081586

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15-,16-,17-,19-,20+,21+/m0/s1
C21H31NO2329.47632100
10081587

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15-,16-,17-,19-,20-,21+/m0/s1
C21H31NO2329.47632100
21203720

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15-,16+,17-,19+,20-,21+/m1/s1
C21H31NO2329.47631100
21203851

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15-,16-,17-,19-,20+,21-/m0/s1
C21H31NO2329.47631100
21203988

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15+,16+,17-,19-,20+,21-/m0/s1
C21H31NO2329.47631100
21204020

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15+,16+,17-,19+,20+,21-/m0/s1
C21H31NO2329.47631100
23180957

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14?,15?,16?,17?,19?,20?,21-/m0/s1
C21H31NO2329.47631100
58817102

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15+,16-,17-,19?,20?,21-/m0/s1
C21H31NO2329.47631100

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