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 30 results

Search term: SCPADBBISMMJAW (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
92121

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1
C21H36O3336.5087495028013
92143

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
C21H36O3336.5087211931
16735650

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-/m0/s1
C21H36O3336.5087151404
22889181

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
C21H36O3336.5087131100
19972128

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15-,16-,17+,18+,19+,20+,21+/m1/s1
C21H36O3336.508710900
451885

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3
C21H36O3336.508792401
16735651

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18+,19+,20+,21+/m1/s1
C21H36O3336.50878802
2297709

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13?,14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
C21H36O3336.5087400000018900
2339825

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13?,14?,15?,16-,17+,18+,19+,20+,21+/m1/s1
C21H36O3336.5087400000015622
2029676

1 of 9 defined stereocentres - 1/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13?,14?,15?,16?,17?,18?,19?,20?,21-/m1/s1
C21H36O3336.5087400000015400
4933235

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16?,17?,18?,19+,20+,21+/m1/s1
C21H36O3336.50875400
4955001

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13?,14-,15-,16+,17-,18-,19-,20-,21-/m0/s1
C21H36O3336.50874300
4933231

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16?,17?,18?,19-,20-,21-/m0/s1
C21H36O3336.50874400
22889177

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13?,14-,15?,16?,17?,18?,19?,20?,21-/m0/s1
C21H36O3336.50873100
10061352

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18+,19-,20+,21+/m0/s1
C21H36O3336.50873200
62421441

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19+,20+,21+/m1/s1
C21H36O3336.50872200
9373556

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16?,17-,18-,19-,20-,21-/m0/s1
C21H36O3336.50872100
10061349

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H36O3336.50872100
10061350

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18+,19-,20-,21+/m0/s1
C21H36O3336.50872100
10061351

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20+,21+/m0/s1
C21H36O3336.50872100
12

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