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 47 results

Search term: RJKFOVLPORLFTN (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5773


6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
C21H30O2314.46171624108066160648
83898

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1
C21H30O2314.4617191902
23630311

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i1D3,4D2,8D2,12D,17D
C21H21D9O2323.5172162400
4478728

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16?,17-,18?,19?,20+,21-/m1/s1
C21H30O2314.4617141300
1013312

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21+/m0/s1
C21H30O2314.46171112154
17466906

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18?,19?,20-,21+/m0/s1
C21H30O2314.461710500
58824712

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i8+1,12+1,15+1
C1813C3H30O2317.43977600
144551

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i12+2
C2014CH30O2316.45426900
10050426

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19+,20-,21+/m0/s1
C21H30O2314.46175300
1413280

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19+,20-,21+/m0/s1
C21H30O2314.46174100
57268830

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i17D
C21H29DO2315.46794300
10043747

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m1/s1
C21H30O2314.46174300
65010256

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m1/s1
C21H30O2314.46174300
115011052

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i12+1,15+1
C1913C2H30O2316.4473300
5036265

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17-,18+,19-,20+,21-/m0/s1
C21H30O2314.46173300
65009753

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17?,18+,19+,20+,21+/m1/s1
C21H30O2314.46173100
1413282

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17-,18+,19-,20-,21+/m0/s1
C21H30O2314.46173100
10050427

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18+,19+,20-,21+/m0/s1
C21H30O2314.46173200
10050428

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18+,19-,20-,21+/m0/s1
C21H30O2314.46173100
17347178

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16?,17?,18?,19?,20-,21?/m0/s1
C21H30O2314.46173300
123

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