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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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Isotopically Labeled
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Found 622 results

Search term: C22H33NO5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4940774

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H33NO5/c1-3-4-6-14(2)18(24)10-9-16-17-11-20(28-21(17)12-19(16)25)15(13-23)7-5-8-22(26)27/h9-10,14,16-19,21,24-25H,3-8,11-12H2,1-2H3,(H,26,27)/b10-9+,20-15+/t14?,16-,17-,18-,19-,21+/m1/s1
C22H33NO5391.5011151700
21475004

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H29NO.C4H4O4/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4;5-3(6)1-2-4(7)8/h7-9,14,17H,5-6,10-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,17+;/m0./s1
C22H33NO5391.5011141500
22250971

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H33NO5/c1-4-26-21(24)22(9-12-25-3)7-10-23(11-8-22)15-17(2)13-18-5-6-19-20(14-18)28-16-27-19/h5-6,14,17H,4,7-13,15-16H2,1-3H3
C22H33NO5391.5011131000
17463385

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H33NO5/c1-14-4-3-5-20(2)12-16-17(18-22(14,20)28-18)15(19(24)27-16)13-23-8-6-21(7-9-23)25-10-11-26-21/h14-18H,3-13H2,1-2H3/t14-,15?,16+,17+,18-,20+,22-/m0/s1
C22H33NO5391.501110900
17465583

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H33NO5/c1-20-3-2-4-21(14-27-21)18(20)11-15-16(19(24)28-17(15)12-20)13-23-7-5-22(6-8-23)25-9-10-26-22/h15-18H,2-14H2,1H3/t15-,16?,17-,18-,20-,21?/m1/s1
C22H33NO5391.501110900
167135
InChI=1/C22H33NO5/c1-14(2)8-20(25)27-17-10-16(19(24)13-23-22(5,6)7)11-18(12-17)28-21(26)9-15(3)4/h10-12,14-15,23H,8-9,13H2,1-7H3
C22H33NO5391.501110800
4181094

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H33NO5/c1-15(2)17-10-9-16(3)13-20(17)28-22(25)14-27-21(24)11-12-23-18-7-5-6-8-19(18)26-4/h5-8,15-17,20,23H,9-14H2,1-4H3
C22H33NO5391.501129400
22187416

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H33NO5/c1-16(2)21(24)23(12-18-6-5-9-27-18)11-17-7-8-19(25-4)20(10-17)28-15-22(3)13-26-14-22/h7-8,10,16,18H,5-6,9,11-15H2,1-4H3
C22H33NO5391.50118800
22842394

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H33NO5/c1-12(2)18(23-13(3)24)20(26)28-17-9-10-21(4,5)16-8-7-14-15(22(16,17)6)11-27-19(14)25/h12,16-18H,7-11H2,1-6H3,(H,23,24)/t16-,17-,18+,22+/m0/s1
C22H33NO5391.50118500
35093332

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H33NO5/c1-26-19-12-11-16(20(27-2)21(19)28-3)14-23(17-8-4-5-9-17)22(25)15-7-6-10-18(24)13-15/h11-12,15,17-18,24H,4-10,13-14H2,1-3H3/t15-,18-/m0/s1
C22H33NO5391.50118700
30386688
InChI=1/C22H33NO5/c1-16(2)14-19(24)27-15-17-8-6-7-9-18(17)22(26)10-12-23(13-11-22)20(25)28-21(3,4)5/h6-9,16,26H,10-15H2,1-5H3
C22H33NO5391.50117600
22624222

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H33NO5/c1-17(2)7-8-23(13-18-10-21(25-3)12-22(11-18)26-4)14-19(24)15-27-16-20-6-5-9-28-20/h5-6,9-12,17,19,24H,7-8,13-16H2,1-4H3
C22H33NO5391.50117600
22624691

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H33NO5/c1-17(2)9-10-23(13-18-7-8-21(25-3)22(12-18)26-4)14-19(24)15-27-16-20-6-5-11-28-20/h5-8,11-12,17,19,24H,9-10,13-16H2,1-4H3
C22H33NO5391.50117600
22625612

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H33NO5/c1-17(2)10-11-23(13-18-7-5-9-21(25-3)22(18)26-4)14-19(24)15-27-16-20-8-6-12-28-20/h5-9,12,17,19,24H,10-11,13-16H2,1-4H3
C22H33NO5391.50117600
10207528

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18?,20-,21+,22-/m0/s1
C22H33NO5391.50117700
2208151

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H31NO.C2H2O4/c1-4-9-19-12-7-11-18(3)20(19)22-15-6-5-13-21-14-8-10-17(2)16-21;3-1(4)2(5)6/h4,7,11-12,17H,1,5-6,8-10,13-16H2,2-3H3;(H,3,4)(H,5,6)
C22H33NO5391.501127700
3805414
InChI=1/C22H33NO5/c1-2-3-4-5-6-7-8-9-20(24)19-11-10-18(16-21(19)25)28-17-22(26)23-12-14-27-15-13-23/h10-11,16,25H,2-9,12-15,17H2,1H3
C22H33NO5391.501127500
381771

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3
C22H33NO5391.50116600
37126
InChI=1/C22H33NO5/c1-5-26-22(25)20-17(4)9-10-18(16(2)3)21(20)28-15-19(24)27-14-13-23-11-7-6-8-12-23/h9-10,16H,5-8,11-15H2,1-4H3
C22H33NO5391.50116700
26333270

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H33NO5/c1-12(2)18(23-13(3)24)20(26)28-17-9-10-21(4,5)16-8-7-14-15(22(16,17)6)11-27-19(14)25/h7,12,15-18H,8-11H2,1-6H3,(H,23,24)/t15-,16-,17-,18-,22+/m0/s1
C22H33NO5391.50116600
12345

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