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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 15 results

Search term: KRGCLKZOZQUAFK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28637804

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28?/m1/s1
C28H44O4444.6466201700
7826193

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1
C28H44O4444.64669900
4943316

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9-,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1
C28H44O4444.64663300
8313944

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10+/t18?,22?,23?,24?,25-,27+,28+/m0/s1
C28H44O4444.64662100
8609034

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9-,21-10-/t18?,22?,23?,24?,25-,27-,28-/m1/s1
C28H44O4444.64662100
20143820

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25?,27-,28-/m1/s1
C28H44O4444.64662210
23148520

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24?,25+,27-,28?/m1/s1
C28H44O4444.64662200
38772304

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10+/t18-,22-,23-,24+,25+,27-,28?/m1/s1
C28H44O4444.64661100
75529027

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1/i3D3,4D3
C28H38D6O4450.68351100
76003886

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10+/t18-,22-,23-,24+,25+,27-,28-/m1/s1
C28H44O4444.64661100
114546533

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m0/s1/i3D3,4D3
C28H38D6O4450.68351100
114546545

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m0/s1
C28H44O4444.64661100

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