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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
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Found 275 results

Search term: C21H36O3 (Found by molecular formula)
12345
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
9231983
InChI=1/C21H36O3/c1-3-4-11-14-19-17-18(2)20(24-19)15-12-9-7-5-6-8-10-13-16-21(22)23/h17H,3-16H2,1-2H3,(H,22,23)
C21H36O3336.5087263000
23288486

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h6-7,9-10,20H,2-5,8,11-19H2,1H3/b7-6-,10-9-
C21H36O3336.5087213600
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
10249550

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O3/c1-15(9-10-16(2)20(3,4)24-14-23-6)17-11-12-18-19(22)8-7-13-21(17,18)5/h9-10,15-18H,7-8,11-14H2,1-6H3/b10-9+/t15-,16+,17-,18+,21-/m1/s1
C21H36O3336.5087181800
8034716
InChI=1/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(22)24-19-20-16-15-18-23-20/h15-16,18H,2-14,17,19H2,1H3
C21H36O3336.5087161620
48060916
InChI=1/C21H36O3/c1-5-6-11-14-19-17(2)18(3)20(24-19)15-12-9-7-8-10-13-16-21(22)23-4/h5-16H2,1-4H3
C21H36O3336.5087151100
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
97781

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1
C21H36O3336.5087111000
2290104

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H36O3/c1-4-5-6-7-8-9-10-11-20-12-14-21(15-13-20)24-17-19(3)23-16-18(2)22/h12-15,18-19,22H,4-11,16-17H2,1-3H3
C21H36O3336.508740000001111300
177370

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(22)18-15-14-17-20(23)21(18)24/h14-15,17,19,22-24H,2-13,16H2,1H3
C21H36O3336.508710800
11416996

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h6-7,9-10,20H,2-5,8,11-19H2,1H3/b7-6+,10-9+
C21H36O3336.5087101000
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
472339

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3
C21H36O3336.50879700
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
2637589

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H36O3/c1-9-11-17(2,3)23-24-18(4,5)13-14-21(22)15-16-10-12-20(21,8)19(16,6)7/h16,22H,9-12,15H2,1-8H3
C21H36O3336.50878700
2989220

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H36O3/c1-9-10-18(3,4)23-24-19(5,6)11-12-21(22)14-16-13-17(21)15(2)20(16,7)8/h15-17,22H,9-10,13-14H2,1-8H3
C21H36O3336.5087400000018200
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
12345

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