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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 26 results

Search term: OIWTWACQMDFHJG (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24700241

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21-/m0/s1
C22H32O5376.4865222400
17283639

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21+/m1/s1
C22H32O5376.4865181800
95639964

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4u,7-5u,9-3+,12-8+,15-10u,16-11+
C22H32O5376.486571000
32055522

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21-/m0/s1/i1D3,2D2
C22H27D5O5381.51737700
17216236

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20?,21-/m0/s1
C22H32O5376.486577250
21466991

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4+,7-5-,9-3-,12-8-,15-10+,16-11-/t19-,20-,21?/m1/s1
C22H32O5376.48654300
52082907

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21+/m1/s1/i1D3,2D2
C22H27D5O5381.51734400
34980940

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21-/m0/s1
C22H32O5376.48653400
28583291

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4+,7-5+,9-3+,12-8+,15-10+,16-11+
C22H32O5376.48652100
72391380

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4u,7-5+,9-3+,12-8+,15-10u,16-11+
C22H32O5376.48651100
95601604

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4u,7-5u,9-3+,12-8+,15-10u,16-11+/t19-,20-,21?/m1/s1
C22H32O5376.48651100
95639963

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4+,7-5+,9-3+,12-8-,15-10+,16-11+
C22H32O5376.48651100
111309998

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21-/m1/s1
C22H32O5376.48651100
114814988

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4u,7-5u,9-3+,12-8+,15-10u,16-11+/t19-,20+,21-/m0/s1
C22H32O5376.48651100
114815849

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4u,7-5u,9-3+,12-8+,15-10u,16-11+/t19-,20-,21+/m1/s1
C22H32O5376.48651100
129307553

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+
C22H32O5376.48651100
12

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