Matches any text strings used to describe a molecule.
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 116 results

Search term: C22H29FO5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5541


8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
C22H29FO5392.461114728239599430
9399

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
C22H29FO5392.4611119160361530
5664

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1
C22H29FO5392.46115262102207
4642419

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,17+,19+,20+,21+,22+/m1/s1
C22H29FO5392.4611242200
5293136

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29FO5/c23-20-14-21(25)19(18(20)10-6-1-2-7-11-22(26)27)13-12-16(24)15-28-17-8-4-3-5-9-17/h1,3-6,8-9,12-13,16,18-21,24-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20-,21-/m1/s1
C22H29FO5392.4611171800
5142766

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,17-,19-,20-,21-,22-/m0/s1
C22H29FO5392.4611141300
198089

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H29FO5/c1-12-8-16-14-5-7-21(28,18(27)11-24)20(14,3)10-17(26)22(16,23)19(2)6-4-13(25)9-15(12)19/h4,6,9,12,14,16-17,24,26,28H,5,7-8,10-11H2,1-3H3/t12-,14-,16-,17-,19-,20-,21-,22-/m0/s1
C22H29FO5392.4611131500
48063807

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H29FO5/c1-11-8-15-14-5-4-12-9-13(24)6-7-21(12,3)22(14,23)16(25)10-20(15,2)17(11)18(26)19(27)28/h6-7,9,11,14-18,25-26H,4-5,8,10H2,1-3H3,(H,27,28)/t11-,14+,15+,16+,17-,18+,20+,21+,22+/m1/s1
C22H29FO5392.46119700
4642404

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12?,15?,16?,17?,19?,20?,21-,22-/m0/s1
C22H29FO5392.46117400
8041008

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17?,19+,20+,21+,22+/m1/s1
C22H29FO5392.461174100
8606047

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H29FO5/c1-12(24)18(27)21(28)9-7-15-16-5-4-13-10-14(25)6-8-19(13,2)22(16,23)17(26)11-20(15,21)3/h6,8,10,12,15-17,24,26,28H,4-5,7,9,11H2,1-3H3/t12?,15-,16-,17-,19-,20-,21-,22-/m0/s1
C22H29FO5392.46117700
25996436

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12?,15-,16+,17?,19-,20-,21+,22+/m1/s1
C22H29FO5392.46117300
32698181

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H29FO5/c1-12-8-16-20(3,22(12,28)17(27)11-24)10-15(26)18-19(2)6-5-14(25)9-13(19)4-7-21(16,18)23/h5-6,9,12,15-16,18,24,26,28H,4,7-8,10-11H2,1-3H3/t12-,15-,16+,18-,19-,20-,21-,22-/m0/s1
C22H29FO5392.46117900
32699353

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H29FO5/c1-12-9-21(23)15-5-4-13-8-14(25)6-7-19(13,2)18(15)16(26)10-20(21,3)22(12,28)17(27)11-24/h6-8,12,15-16,18,24,26,28H,4-5,9-11H2,1-3H3/t12-,15-,16-,18-,19-,20-,21-,22-/m0/s1
C22H29FO5392.46117900
32700976

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H29FO5/c1-12(24)18(27)21(28)9-7-15-16-5-4-13-10-14(25)6-8-19(13,2)22(16,23)17(26)11-20(15,21)3/h6,8,10,12,15-17,24,26,28H,4-5,7,9,11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
C22H29FO5392.46117800
397800

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15?,16+,17+,19+,20+,21+,22+/m1/s1
C22H29FO5392.46117600
412425

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,17?,19?,20?,21+,22+/m1/s1
C22H29FO5392.46117300
3533054

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H29FO5/c1-14(2)18-9-4-15(3)12-20(18)28-22(26)13-27-21(25)11-10-19(24)16-5-7-17(23)8-6-16/h5-8,14-15,18,20H,4,9-13H2,1-3H3
C22H29FO5392.46106326200
4513009

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H29FO5/c1-20-11-16(25)19-14(15(20)5-4-12(20)8-18(26)28-3)9-17(23)22(27)10-13(24)6-7-21(19,22)2/h8,14-15,17,19,27H,4-7,9-11H2,1-3H3/b12-8+/t14-,15-,17+,19+,20+,21+,22-/m0/s1
C22H29FO5392.46115400
8006364

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19?,20+,21+,22+/m1/s1
C22H29FO5392.46115400
12345

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