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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 11 results

Search term: FWPYIYVSYQRISA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9287871

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27+,28-/m0/s1
C28H42O3426.631311600
8392080

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23?,25+,26+,27+,28-/m0/s1
C28H42O3426.63138600
4943462

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27-,28+/m0/s1
C28H42O3426.63134400
29215719

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20-,21+,22-,23-,25-,26-,27-,28+/m1/s1
C28H42O3426.63134400
4342274

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3
C28H42O3426.6312800000012100
22890327

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21?,22?,23?,25?,26?,27+,28-/m0/s1
C28H42O3426.63132100
29212361

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7-/t19?,20-,21+,22-,23-,25-,26-,27-,28+/m1/s1
C28H42O3426.63132200
34542890

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20?,21+,22?,23-,25-,26-,27-,28+/m1/s1
C28H42O3426.63131100
113610006

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22-,23+,25-,26+,27+,28-/m0/s1
C28H42O3426.63131100
114815984

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/t19-,20+,21?,22+,23+,25+,26-,27?,28+/m0/s1
C28H42O3426.63131100
115011173

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27?,28-/m0/s1
C28H42O3426.63131100

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