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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 22 results

Search term: HPDHKHMHQGCNPE (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10254880

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1
C19H27NO6365.420822313431
23327363

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6-/t12-,15-,19-/m1/s1
C19H27NO6365.42088800
57257208

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15+,19+/m0/s1
C19H27NO6365.42086600
4516153

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-
C19H27NO6365.42086900
4445066

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5?,14-6-/t12-,15-,19-/m1/s1
C19H27NO6365.420785600
82951776

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6-/t12-,15+,19-/m0/s1
C19H27NO6365.42084400
227973

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3
C19H27NO6365.42083300
4938502

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6-/t12-,15?,19-/m1/s1
C19H27NO6365.42083300
4946642

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5?,14-6-/t12-,15-,19+/m1/s1
C19H27NO6365.42082200
21781922

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15?,19-/m1/s1
C19H27NO6365.42082300
4528553

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5u,14-6-
C19H27NO6365.42082200
110803762

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6-/t12-,15-,19+/m1/s1
C19H27NO6365.42082200
111307109

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6-/t12-,15+,19+/m1/s1
C19H27NO6365.42081100
113590152

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6-/t12-,15+,19-/m1/s1
C19H27NO6365.42081100
113608482

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19+/m0/s1
C19H27NO6365.42081100
113608486

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6-/t12-,15-,19-/m0/s1
C19H27NO6365.42081100
114101416

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m0/s1
C19H27NO6365.42081100
114544952

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15+,19+/m1/s1
C19H27NO6365.42081100
58783604

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15?,19-/m1/s1/i4D3
C19H24D3NO6368.43931100
68894724

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6-/t12-,15+,19+/m0/s1
C19H27NO6365.42081100
12

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