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 17 results

Search term: QAAQQTDJEXMIMF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
85008

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H34O2318.4935283100
92061

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21-/m1/s1
C21H34O2318.4935222102
472571

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3
C21H34O2318.493591400
19973676

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13?,15?,16-,17+,18-,19-,20-,21+/m0/s1
C21H34O2318.49353209
58782641

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13?,15-,16-,17+,18-,19-,20-,21+/m0/s1/i1D3,13D,17D
C21H29D5O2323.52433300
77498923

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16+,17+,18-,19-,20+,21-/m1/s1
C21H34O2318.49353200
58782194

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1/i1D3,13D,17D
C21H29D5O2323.52432400
8511506

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16?,17-,18?,19?,20+,21-/m1/s1
C21H34O2318.49352100
19973677

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13?,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H34O2318.49351150
23213612

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13?,15-,16?,17?,18?,19?,20-,21+/m0/s1
C21H34O2318.49351100
23213795

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16?,17?,18?,19?,20+,21-/m1/s1
C21H34O2318.49351100
58782196

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16+,17?,18+,19+,20+,21-/m1/s1
C21H34O2318.49351100
58782639

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15-,16-,17?,18-,19-,20-,21+/m0/s1
C21H34O2318.49351100
71116421

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15-,16-,17+,18?,19-,20-,21+/m0/s1
C21H34O2318.49351100
111313225

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15-,16-,17?,18+,19+,20-,21+/m1/s1
C21H34O2318.49351100
111313226

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15-,16-,17-,18+,19+,20-,21+/m1/s1
C21H34O2318.49351100

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