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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 14 results

Search term: CNWGPXZGIIOYDL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4941043

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1
C21H36O5368.5075394600
21467772

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1/i2D3,13D2
C21H31D5O5373.5383121300
10809687

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+
C21H36O5368.50757300
9968279

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1/i2D3
C21H33D3O5371.5264400
4061

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)
C21H36O5368.50754200
75845

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/t16-,17-,19-,21?/m1/s1
C21H36O5368.50753200
7996384

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21+/m1/s1
C21H36O5368.50752100
8151916

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9-/t16-,17-,19-,21?/m1/s1
C21H36O5368.50752100
27472684

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17+,19+,21?/m0/s1
C21H36O5368.50752100
78429946

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/t16-,17+,19+,21?/m0/s1
C21H36O5368.50751100
110806641

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/i2D3,14D2
C21H31D5O5373.53831100
114392431

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16?,17?,19-,21-/m1/s1
C21H36O5368.50751100
114392432

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16?,17?,19-,21-/m1/s1/i2D3,13D2
C21H31D5O5373.53831100

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