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
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Found 32 results

Search term: DBPWSSGDRRHUNT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6002

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
C21H30O3330.46111271677279453
91973

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21-/m1/s1
C21H30O3330.4611161500
455281

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3
C21H30O3330.4611152256
48063786

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1/i1D3,4D2,6D2,12D
C21H22D8O3338.5104111300
17461279

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17?,18?,19+,20+,21+/m1/s1
C21H30O3330.46118400
21470552

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16?,17?,18?,19?,20?,21-/m0/s1
C21H30O3330.4611843658128
5142780

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16?,17?,18?,19-,20-,21-/m0/s1
C21H30O3330.46117500
58824053

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1/i6+1,12+1,15+1
C1813C3H30O3333.43916700
82827087

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17?,18+,19+,20-,21-/m1/s1
C21H30O3330.46113500
23498806

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19-,20-,21+/m1/s1
C21H30O3330.4611313658128
26000348

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21?/m1/s1
C21H30O3330.46113100
5036179

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m1/s1
C21H30O3330.46113300
10047055

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m1/s1
C21H30O3330.46113100
10047053

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17-,18+,19+,20+,21+/m1/s1
C21H30O3330.46112100
10047054

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17-,18-,19+,20+,21+/m1/s1
C21H30O3330.46112100
628172

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17-,18+,19+,20-,21+/m1/s1
C21H30O3330.46112100
1399420

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17-,18+,19+,20+,21-/m1/s1
C21H30O3330.46112100
1399422

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17-,18-,19+,20+,21-/m1/s1
C21H30O3330.46112100
1399424

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

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