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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 16 results

Search term: OJZYRQPMEIEQFC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4942859

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1
C22H36O5380.5182727400
58782977

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1/i2D3
C22H33D3O5383.536791100
57615942

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12u/t16-,17+,18+,19+,21+/m0/s1
C22H36O5380.51827600
3790

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)
C22H36O5380.51823200
9958517

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21?/m0/s1
C22H36O5380.51823200
57373507

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17-,18-,19-,21-/m1/s1
C22H36O5380.51823200
65009902

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/t16-,17+,18+,19+,21+/m0/s1
C22H36O5380.51823200
8127442

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16?,17-,18-,19?,21-/m1/s1
C22H36O5380.51822100
115011000

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12u/t16-,17+,18+,19+,21+/m0/s1/i2D3
C22H33D3O5383.53672200
78430107

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m1/s1
C22H36O5380.51821100
78433690

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19?,21+/m0/s1
C22H36O5380.51821100
107449581

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8-,13-12+/t16-,17+,18+,19+,21+/m0/s1
C22H36O5380.51821100
114390075

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18-,19-,21+/m0/s1
C22H36O5380.51821100
114451747

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8u,13-12+/t16-,17+,18+,19+,21+/m0/s1
C22H36O5380.51821100
114814245

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12u/t16-,17+,18-,19+,21+/m0/s1
C22H36O5380.51821100

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