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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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Single/Multi-component
Isotopically Labeled
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Found 305 results

Search term: C22H36O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4942859

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1
C22H36O5380.5182727400
4446193

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20-/m1/s1
C22H36O5380.5182395500
4470738

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h6-7,10,12,17-18,20,24,26H,4-5,8-9,11,13-16H2,1-3H3/b7-6-,12-10+/t17-,18-,20-,22?/m1/s1
C22H36O5380.51824272800
4446180

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-18,20,23,25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18+,20-/m1/s1
C22H36O5380.5182242500
193695
InChI=1/C22H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)27-17-19-16-20(23)21(24)18-26-19/h16,18,24H,2-15,17H2,1H3
C22H36O5380.5182201500
4940711

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H36O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h7-8,13,15,17-20,23-24,26H,4-5,9-12,14,16H2,1-3H3/b15-13+/t6?,17-,18-,19+,20-,22-/m1/s1
C22H36O5380.5182202400
23976739

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H36O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h13-14,16,18-19,23,26H,6-12H2,1-5H3/t13-,14+,16-,18+,19+,20-,21?,22?/m1/s1
C22H36O5380.5182202000
17220789

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,14-15,17-19,21,23,25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1
C22H36O5380.5182181900
17220774

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-19,21,23,25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1
C22H36O5380.5182151400
4470748

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-8-11-17(26-2)14-15-19-18(20(23)16-21(19)27-3)12-9-6-7-10-13-22(24)25/h6,9,14-15,17-19,21H,4-5,7-8,10-13,16H2,1-3H3,(H,24,25)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1
C22H36O5380.51824141100
26943797

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H36O5/c1-17(23)13-11-9-7-5-3-2-4-6-8-10-12-14-18-15-19(24)16-20(25)21(18)22(26)27/h15-17,23-25H,2-14H2,1H3,(H,26,27)/t17-/m1/s1
C22H36O5380.5182131300
28289672

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H36O5/c1-6-26-16-12-22(25,13-27-16)11-8-15-14(2)17(23)18(24)19-20(3,4)9-7-10-21(15,19)5/h16,18-19,24-25H,6-13H2,1-5H3/t16?,18-,19+,21-,22?/m1/s1
C22H36O5380.518210800
3432191

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H36O5/c1-5-17(3)19-15-21-22(16-20(19)18(4)6-2)27-14-12-25-10-8-23-7-9-24-11-13-26-21/h15-18H,5-14H2,1-4H3
C22H36O5380.5182410500
4470741

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19+,20+/m1/s1
C22H36O5380.51824101000
535523
InChI=1/C22H36O5/c1-21(2,3)17-15-18(22(4,5)6)20-19(16-17)26-13-11-24-9-7-23-8-10-25-12-14-27-20/h15-16H,7-14H2,1-6H3
C22H36O5380.51829800
7826644

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C22H36O5/c1-11(20(26)27)14-4-5-15-19-16(10-18(25)22(14,15)3)21(2)7-6-13(23)8-12(21)9-17(19)24/h11-19,23-25H,4-10H2,1-3H3,(H,26,27)/t11-,12-,13+,14+,15-,16-,17+,18-,19-,21-,22+/m0/s1
C22H36O5380.518291100
383733

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C22H36O5/c1-14(24)27-13-19(2)17-5-4-15-10-16-11-21(15,8-9-22(16,26)12-23)20(17,3)7-6-18(19)25/h15-18,23,25-26H,4-13H2,1-3H3
C22H36O5380.51828700
254317

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C22H36O5/c1-13(2)22(25)14-11-16-19(3)8-6-9-20(4,18(24)26-5)15(19)7-10-21(16,17(22)23)27-12-14/h13-17,23,25H,6-12H2,1-5H3
C22H36O5380.51827500
9968862

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-16(2)18-8-12-20(4,15-27-17(3)23)19(24)14-22(6,26)11-7-10-21(5,25)13-9-18/h7,9,11,13,16,18,25-26H,8,10,12,14-15H2,1-6H3/b11-7+,13-9+/t18-,20-,21-,22+/m1/s1
C22H36O5380.51827600
57615942

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12u/t16-,17+,18+,19+,21+/m0/s1
C22H36O5380.51827600
12345

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