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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 19 results

Search term: XBGUSQBSWPZOOX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4645543

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/b7-5-/t19-,20?,21?,22?,23?,24-,26-,27-/m0/s1
C27H42O3414.62065400
10062483

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/t19-,20-,21-,22+,23-,24-,26-,27-/m0/s1
C27H42O3414.62062100
10062485

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/t19-,20+,21-,22+,23-,24-,26-,27-/m0/s1
C27H42O3414.62062100
10062487

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/t19-,20-,21+,22+,23-,24-,26-,27-/m0/s1
C27H42O3414.62062100
10062489

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/t19-,20+,21+,22+,23-,24-,26-,27-/m0/s1
C27H42O3414.62062100
10072078

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/b7-5-/t19-,20-,21-,22+,23-,24-,26-,27-/m0/s1
C27H42O3414.62062100
10072080

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/b7-5-/t19-,20+,21-,22+,23-,24-,26-,27-/m0/s1
C27H42O3414.62062100
10072082

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/b7-5-/t19-,20-,21+,22+,23-,24-,26-,27-/m0/s1
C27H42O3414.62062100
10072084

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/b7-5-/t19-,20+,21+,22+,23-,24-,26-,27-/m0/s1
C27H42O3414.62062100
3810576

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)
C27H42O3414.62062100
30991844

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/b7-5+
C27H42O3414.62061100
10072083

Charge

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/p-1/b7-5-/t19-,20+,21+,22+,23-,24-,26-,27-/m0/s1
C27H41O3413.61321100
10072081

Charge

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/p-1/b7-5-/t19-,20-,21+,22+,23-,24-,26-,27-/m0/s1
C27H41O3413.61321100
10072079

Charge

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/p-1/b7-5-/t19-,20+,21-,22+,23-,24-,26-,27-/m0/s1
C27H41O3413.61321100
10072077

Charge

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/p-1/b7-5-/t19-,20-,21-,22+,23-,24-,26-,27-/m0/s1
C27H41O3413.61321100
10062488

Charge

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/p-1/t19-,20+,21+,22+,23-,24-,26-,27-/m0/s1
C27H41O3413.61321100
10062486

Charge

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/p-1/t19-,20-,21+,22+,23-,24-,26-,27-/m0/s1
C27H41O3413.61321100
10062484

Charge

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/p-1/t19-,20+,21-,22+,23-,24-,26-,27-/m0/s1
C27H41O3413.61321100
10062482

Charge

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/p-1/t19-,20-,21-,22+,23-,24-,26-,27-/m0/s1
C27H41O3413.61321100

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