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 19 results

Search term: DJPZSBANTAQNFN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83191


6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
C21H30O3330.4611721144746
312395

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3
C21H30O3330.4611121800
2035123

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16?,17?,18?,19-,20-,21-/m0/s1
C21H30O3330.4611764746
8307089

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18?,19-,20-,21-/m0/s1
C21H30O3330.46114100
580883

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
C21H30O3330.46114300
62629955

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19+,20-,21+/m1/s1
C21H30O3330.46112200
10034476

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18+,19+,20+,21+/m1/s1
C21H30O3330.46112100
10062464

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m1/s1
C21H30O3330.46112100
10062465

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19+,20+,21+/m1/s1
C21H30O3330.46112100
58784516

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1/i1D3
C21H27D3O3333.47962600
4573746

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17?,18?,19-,20-,21-/m0/s1
C21H30O3330.46112200
4937184

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16?,17?,18?,19-,20?,21?/m0/s1
C21H30O3330.46112200
5382156

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
C21H30O3330.46112100
58816344

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20?,21?/m0/s1
C21H30O3330.46111100
111312115

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m1/s1/i1D3
C21H27D3O3333.47961100
113607538

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20+,21-/m1/s1
C21H30O3330.46111100

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