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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
Additional Filters

Found 50 results

Search term: C22H28F2O5 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
15632


9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
C22H28F2O5410.45151051171479
64505

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1
C22H28F2O5410.4515707400
8154509

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1
C22H28F2O5410.4515323500
3258

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3
C22H28F2O5410.4515169300
4642550

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13?,14?,16+,17+,19+,20+,21+,22+/m1/s1
C22H28F2O5410.4515141400
30647326

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21?,22+/m1/s1
C22H28F2O5410.451512900
58809756

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21?,22-/m0/s1
C22H28F2O5410.451510800
4956426

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16-,17+,19+,20+,21?,22+/m1/s1
C22H28F2O5410.45158800
72391268

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1+,13-12u
C22H28F2O5410.45157800
21467507

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+
C22H28F2O5410.45157500
8020149

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13?,14?,16+,17?,19?,20?,21+,22+/m1/s1
C22H28F2O5410.45155200
9266023

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H28F2O5/c1-11-7-13-14-9-16(23)15-8-12(25)5-6-19(15,2)21(14,24)17(26)10-20(13,3)22(11,28)18(27)29-4/h5-6,8,11,13-14,16-17,26,28H,7,9-10H2,1-4H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
C22H28F2O5410.45154200
18507658

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16-,17+,19+,20+,21+,22+/m1/s1
C22H28F2O5410.45154400
25948893

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C22H28F2O5/c1-11-7-13-14-9-16(23)15-8-12(25)5-6-19(15,2)21(14,24)17(26)10-20(13,3)22(11,28)18(27)29-4/h5-6,8,11,13-14,16-17,26,28H,7,9-10H2,1-4H3/t11-,13+,14+,16+,17+,19+,20+,21?,22-/m1/s1
C22H28F2O5410.45153100
26563056

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21+,22?/m0/s1
C22H28F2O5410.45153100
5036598

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17-,19-,20+,21-,22+/m1/s1
C22H28F2O5410.45153300
8085139

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1-5,8-9,12-13,17-20,25-26H,6-7,10-11,14-15H2,(H,27,28)/b2-1-,13-12+/t17-,18-,19+,20-/m1/s1
C22H28F2O5410.45152100
8154508

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14?,16-,17-,19-,20-,21-,22-/m0/s1
C22H28F2O5410.45152100
9255248

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C22H28F2O5/c1-10-6-11-12-7-14(23)20-5-4-13(26)17(20)19(20,3)21(12,24)15(27)8-18(11,2)22(10,29)16(28)9-25/h4-5,10-12,14-15,17,25,27,29H,6-9H2,1-3H3/t10-,11+,12+,14+,15+,17?,18+,19?,20+,21+,22+/m1/s1
C22H28F2O5410.45152200
123

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