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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 89 results

Search term: C21H38O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11633
InChI=1/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3
C21H38O6386.5228729100
108752

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
C21H38O6386.5228334000
9906521

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H38O6/c1-12-15(22)16(23)17(24)18(26-12)27-19(2,3)13-7-10-20(4)8-6-9-21(5,25)14(20)11-13/h12-18,22-25H,6-11H2,1-5H3/t12-,13+,14+,15-,16+,17+,18-,20+,21+/m0/s1
C21H38O6386.5228181400
59600
InChI=1/C21H38O6/c1-5-9-12-18(22)25-15-21(8-4,16-26-19(23)13-10-6-2)17-27-20(24)14-11-7-3/h5-17H2,1-4H3
C21H38O6386.5228171721050
29341817

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H38O6/c1-3-4-5-8-15(22)11-12-18-17(19(23)14-20(18)24)10-7-6-9-16(27-2)13-21(25)26/h11-12,15-20,22-24H,3-10,13-14H2,1-2H3,(H,25,26)/b12-11+/t15-,16?,17+,18+,19-,20+/m0/s1
C21H38O6386.5228161600
470162

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-21(24)26-17-20(27-19(3)23)16-25-18(2)22/h20H,4-17H2,1-3H3
C21H38O6386.5228141800
17462160

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H38O6/c1-6-7-8-9-10-11-12-13-22-17-16(15-14-23-20(2,3)25-15)24-19-18(17)26-21(4,5)27-19/h15-19H,6-14H2,1-5H3/t15?,16-,17+,18-,19-/m1/s1
C21H38O6386.522810700
190862
InChI=1/C21H38O6/c1-4-7-10-13-25-19(22)16-18(21(24)27-15-12-9-6-3)17-20(23)26-14-11-8-5-2/h18H,4-17H2,1-3H3
C21H38O6386.52289600
190867
InChI=1/C21H38O6/c1-15(2)7-10-25-19(22)13-18(21(24)27-12-9-17(5)6)14-20(23)26-11-8-16(3)4/h15-18H,7-14H2,1-6H3
C21H38O6386.52289700
2805908

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H38O6/c1-6-7-8-9-10-11-12-13-22-14-15-16-17(25-20(2,3)24-16)18-19(23-15)27-21(4,5)26-18/h15-19H,6-14H2,1-5H3
C21H38O6386.522827300
470178
InChI=1/C21H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-20(16-25-18(2)22)17-26-19(3)23/h20H,4-17H2,1-3H3
C21H38O6386.52286800
31150634

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H38O6/c1-16(26-21-19(23)15-18(22)17(2)27-21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h12,14,16-19,21-23H,3-11,13,15H2,1-2H3,(H,24,25)/b14-12+/t16-,17+,18-,19-,21-/m1/s1
C21H38O6386.52285600
31150715

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H38O6/c1-17-18(22)16-19(23)21(27-17)26-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20(24)25/h12,14,17-19,21-23H,2-11,13,15-16H2,1H3,(H,24,25)/b14-12+/t17-,18+,19+,21+/m0/s1
C21H38O6386.52285600
26609599

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H38O6/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-27-21(19(25)14-23)20(26)18(24)13-22/h7,9,11,18-26H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-,19-,20-,21-/m1/s1
C21H38O6386.52285500
27289083

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H38O6/c1-9-16(22)12(5)17(23)13(6)20(24)26-19-14(7)18(11(3)4)27-21(25,10-2)15(19)8/h11-15,17-19,23,25H,9-10H2,1-8H3/t12-,13-,14+,15+,17-,18+,19+,21-/m1/s1
C21H38O6386.52284500
28690110
InChI=1/C21H38O6/c22-19(23)16-21(26,17-20(24)25)14-10-5-3-1-2-4-6-11-15-27-18-12-8-7-9-13-18/h18,26H,1-17H2,(H,22,23)(H,24,25)
C21H38O6386.52284300
21467054

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H38O6/c1-3-4-5-8-15(22)11-12-18-17(19(23)14-20(18)24)10-7-6-9-16(27-2)13-21(25)26/h11-12,15-20,22-24H,3-10,13-14H2,1-2H3,(H,25,26)/b12-11+
C21H38O6386.52284100
10232666

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H38O6/c1-9-16(22)12(5)17(23)13(6)20(24)26-19-14(7)18(11(3)4)27-21(25,10-2)15(19)8/h11-15,17-19,23,25H,9-10H2,1-8H3/t12-,13-,14+,15+,17-,18+,19+,21-/m0/s1
C21H38O6386.52284444
3061350

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H38O6/c1-6-7-8-9-10-11-12-13-22-17-16(15-14-23-20(2,3)25-15)24-19-18(17)26-21(4,5)27-19/h15-19H,6-14H2,1-5H3
C21H38O6386.52284200
3819717

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3
C21H38O6386.52284300
12345

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