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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 17 results

Search term: GOHMRMDXUXWCDQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4940925

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20+,21+,22-/m0/s1
C22H28O6388.45413829115
32697106

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20-,21+,22+/m0/s1
C22H28O6388.4541121300
4876338

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+
C22H28O6388.45414300
57577004

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5u,15-6+/t17-,20+,21+,22-/m0/s1
C22H28O6388.45413100
4367478

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)
C22H28O6388.454123200
4533372

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17?,20?,21?,22-/m0/s1
C22H28O6388.45413300
64849698

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17?,20?,21-,22-/m1/s1
C22H28O6388.45412300
82964521

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20+,21+,22-/m1/s1
C22H28O6388.45412100
111309931

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20+,21-,22-/m1/s1
C22H28O6388.45411100
111312759

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20-,21-,22+/m0/s1
C22H28O6388.45411100
113609883

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5u,15-6-/t17-,20-,21-,22+/m1/s1
C22H28O6388.45411100
114392116

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5u,15-6-/t17-,20-,21-,22-/m1/s1
C22H28O6388.45411100
114814184

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5u,15-6+/t17-,20-,21+,22-/m0/s1
C22H28O6388.45411100
78433733

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/t17-,20+,21+,22-/m0/s1
C22H28O6388.45411100
82962972

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17?,20-,21-,22+/m1/s1
C22H28O6388.45411100
25991465

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20-,21+,22-/m0/s1
C22H28O6388.454111418

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