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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
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Found 21 results

Search term: C22H28ClFO4 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470588

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
C22H28ClFO4410.9067608180
4470589

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1
C22H28ClFO4410.9067424400
3820970

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3
C22H28ClFO4410.90671411800
18507814

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
C22H28ClFO4410.90675700
19726

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13?,14?,16+,18?,19?,20?,21?,22+/m1/s1
C22H28ClFO4410.90674200
30398

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12?,15?,16?,17?,19?,20?,21-,22-/m0/s1
C22H28ClFO4410.90673100
8020195

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21?,22-/m0/s1
C22H28ClFO4410.90672100
8200155

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C22H28ClFO4/c1-10-4-12-11-5-15(24)13-6-16(26)14(23)7-21(13,2)20(11)17(27)8-22(12,3)19(10)18(28)9-25/h6-7,10-12,15,17,19-20,25,27H,4-5,8-9H2,1-3H3/t10-,11?,12?,15+,17+,19-,20?,21+,22+/m1/s1
C22H28ClFO4410.90672100
8517001

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15?,16-,17-,19-,20-,21-,22-/m0/s1
C22H28ClFO4410.90672100
10669857

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3
C22H28ClFO4410.90672400
23159120

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12?,15?,16?,17-,19?,20?,21?,22-/m0/s1
C22H28ClFO4410.90671100
23195658

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,17-,19?,20?,21-,22-/m0/s1
C22H28ClFO4410.90671100
32697365

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13?,14?,16+,18+,19-,20+,21+,22-/m1/s1
C22H28ClFO4410.90671100
96316840

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16+,17-,19-,20-,21+,22?/m0/s1
C22H28ClFO4410.90671100
96316876

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14-,16+,18-,19+,20-,21-,22+/m0/s1
C22H28ClFO4410.90671100
107447627

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19?,20-,21-,22+/m0/s1
C22H28ClFO4410.90671200
111312198

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19?,20-,21-,22+/m1/s1
C22H28ClFO4410.90671100
113603439

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m1/s1
C22H28ClFO4410.90671100
114390023

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17+,19-,20-,21-,22-/m1/s1
C22H28ClFO4410.90671100
114816045

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19+,20-,21-,22-/m1/s1
C22H28ClFO4410.90671100
12

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