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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 396 results

Search term: C22H36O4 (Found by molecular formula)
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IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4436580

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h12-15,17-18,20,24H,4-11,16H2,1-3H3,(H,25,26)/b15-13+/t17-,18-,20-/m1/s1
C22H36O4364.5188242400
4943416

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O4/c1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24/h8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26)/b12-11+,16-8-/t17-,18+,19+,20+,22-/m0/s1
C22H36O4364.5188232400
4940718

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O4/c1-3-4-5-9-18(23)11-12-19-20-14-16(13-17(20)15-21(19)24)8-6-7-10-22(25)26-2/h11-13,17-21,23-24H,3-10,14-15H2,1-2H3/b12-11+/t17-,18-,19+,20-,21+/m0/s1
C22H36O4364.518822263813
4947776

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H36O4/c1-4-5-16-22(2,25)17-10-11-18-14-15-20(23)19(18)12-8-6-7-9-13-21(24)26-3/h10-11,14-15,18-19,25H,4-9,12-13,16-17H2,1-3H3/b11-10+/t18-,19+,22?/m0/s1
C22H36O4364.5188212500
4446190

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h6,8,13,15,17-18,20,24H,4-5,7,9-12,14,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1
C22H36O4364.51884212500
4164910
InChI=1/C22H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h17,24H,3-16H2,1-2H3
C22H36O4364.51884201000
28424363

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H36O4/c1-14(23)26-13-19(25)21(4)10-8-16-15(12-21)6-7-17-20(2,3)18(24)9-11-22(16,17)5/h12,16-19,24-25H,6-11,13H2,1-5H3/t16-,17-,18-,19+,21+,22+/m1/s1
C22H36O4364.5188201400
32697942

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H36O4/c1-4-5-16-22(2,25)17-10-11-18-14-15-20(23)19(18)12-8-6-7-9-13-21(24)26-3/h10-11,25H,4-9,12-17H2,1-3H3/b11-10+
C22H36O4364.5188162000
32817341

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H36O4/c1-3-5-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-6-7-10-13-22(25)26-4-2/h14-20,23H,3-13H2,1-2H3/b16-14+/t18-,19-,20+/m0/s1
C22H36O4364.5188131300
29341914

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O4/c1-3-4-5-9-18(23)11-12-19-20-14-16(13-17(20)15-21(19)24)8-6-7-10-22(25)26-2/h8,11-12,17-21,23-24H,3-7,9-10,13-15H2,1-2H3/b12-11+,16-8+/t17-,18-,19+,20-,21+/m0/s1
C22H36O4364.5188131200
92283

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C22H36O4/c1-12-9-17-16-6-5-14-10-15(24)7-8-20(14,3)19(16)18(25)11-21(17,4)22(12,26)13(2)23/h12,14-19,24-26H,5-11H2,1-4H3/t12-,14+,15+,16+,17+,18-,19-,20+,21+,22+/m1/s1
C22H36O4364.5188111401
242260
InChI=1/C22H36O4/c1-3-7-19(8-4-1)15-23-21(24-16-19)11-13-22(14-12-21)25-17-20(18-26-22)9-5-2-6-10-20/h1-18H2
C22H36O4364.51888600
4645707

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H36O4/c1-16(14-19(24)25-6)8-9-18-21(4)12-7-11-20(2,3)17(21)10-13-22(18,5)26-15-23/h14-15,17-18H,7-13H2,1-6H3/b16-14+/t17?,18-,21+,22-/m1/s1
C22H36O4364.51888700
22913053

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H36O4/c1-15(13-20(24)25)9-11-21(4)16(2)10-12-22(5)18(14-26-17(3)23)7-6-8-19(21)22/h7,15-16,19H,6,8-14H2,1-5H3,(H,24,25)/t15?,16-,19?,21+,22+/m1/s1
C22H36O4364.51888600
13076770

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H36O4/c1-13(2)15-8-11-21(5,25-14(3)23)18-16-12-20(4)9-7-10-22(6,26-20)19(24-16)17(15)18/h13,15-19H,7-12H2,1-6H3/t15-,16-,17-,18-,19-,20+,21-,22-/m1/s1
C22H36O4364.51888953
21466916

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C22H36O4/c1-3-5-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-6-7-10-13-22(25)26-4-2/h14-20,23H,3-13H2,1-2H3/b16-14+/t18-,19?,20?/m0/s1
C22H36O4364.51887500
22913810

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H36O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h15,18-19H,2,6-14H2,1,3-5H3,(H,24,25)/t15?,18-,19?,21+,22-/m0/s1
C22H36O4364.51887500
2763742
InChI=1/C22H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26-19-15-16-20(21(23)18-19)22(24)25-2/h15-16,18,23H,3-14,17H2,1-2H3
C22H36O4364.518847500
8604312

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H36O4/c1-3-4-11-19(13-10-17-23)12-8-6-5-7-9-14-20-15-16-21(26-20)18-22(24)25-2/h15-17,19H,3-14,18H2,1-2H3
C22H36O4364.51887600
9443549

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O4/c1-3-4-9-17(2)16-19(23)14-12-18-13-15-21(24)20(18)10-7-5-6-8-11-22(25)26/h8,11-12,14,17-20,23H,3-7,9-10,13,15-16H2,1-2H3,(H,25,26)/b11-8+,14-12+/t17-,18-,19+,20+/m0/s1
C22H36O4364.51887400
12345

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