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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 72 results

Search term: ZGLHBRQAEXKACO (Found by InChIKey (skeleton match))
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7826183

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1
C28H44O3428.64725153190
24829021

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12+/t18-,19+,23-,24-,25?,26?,28-/m1/s1
C28H44O3428.6472181400
28637786

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1/i4D3,5D3
C28H38D6O3434.6841161600
58178870

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19-,23+,24-,25+,26-,28-/m1/s1
C28H44O3428.64727600
27471469

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25?,26+,28-/m1/s1
C28H44O3428.64726600
58134746

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19?,23-,24-,25+,26+,28-/m1/s1
C28H44O3428.64726500
4942376

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26?,28-/m1/s1
C28H44O3428.647254540
9685007

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25?,26-,28-/m1/s1
C28H44O3428.64725200
7826185

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12+/t18-,19+,23-,24-,25+,26+,28-/m1/s1
C28H44O3428.64725500
59759967

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23+,24-,25+,26+,28-/m1/s1
C28H44O3428.64725700
59759983

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23+,24-,25+,26+,28-/m1/s1/i4D3,5D3
C28H38D6O3434.68414600
7826184

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19-,23-,24-,25+,26+,28-/m1/s1
C28H44O3428.64724400
7826189

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12+/t18-,19+,23-,24-,25+,26-,28-/m1/s1
C28H44O3428.64723400
7826190

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12+/t18-,19-,23-,24-,25+,26-,28-/m1/s1
C28H44O3428.64723400
59759984

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23+,24-,25+,26+,28-/m1/s1/i2D3,4D3,5D3
C28H35D9O3437.70263400
59759985

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1/i3D2,12D
C28H41D3O3431.66563200
60599290

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12+/t18-,19+,23-,24-,25?,26+,28-/m1/s1
C28H44O3428.64723300
59759981

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1/i2D3,4D3,5D3
C28H35D9O3437.70263400
32689547

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19-,23+,24-,25+,26-,28-/m1/s1/i4D3,5D3
C28H38D6O3434.68413200
48244872

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-
C28H44O3428.64723300
1234

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