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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 16 results

Search term: IRRHFODGOMSPEE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
118351

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24+,25-,26-,27-/m0/s1
C27H45NO2415.651710900
17466720

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21?,22?,23-,24-,25+,26+,27+/m1/s1
C27H45NO2415.65179500
276636

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3
C27H45NO2415.651781200
114984

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23-,24-,25?,26+,27+/m1/s1
C27H45NO2415.65176500
57523161

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23-,24+,25-,26-,27-/m0/s1
C27H45NO2415.65174400
2342243

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17+,19?,20+,21-,22-,23+,24+,25-,26-,27-/m0/s1
C27H45NO2415.6517000000013300
118641

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23-,24+,25?,26+,27+/m1/s1
C27H45NO2415.65173300
8517269

7 of 11 defined stereocentres - 7/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17-,19?,20?,21?,22?,23-,24-,25+,26+,27+/m1/s1
C27H45NO2415.65172100
10393244

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,23?,24-,25+,26+,27+/m1/s1
C27H45NO2415.65171100
24823323

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,23+,24-,25+,26+,27+/m1/s1
C27H45NO2415.65171100
24823325

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,23-,24-,25+,26+,27+/m1/s1
C27H45NO2415.65171100
58818047

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23-,24+,25?,26+,27?/m1/s1
C27H45NO2415.65171100
113598284

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21?,22?,23-,24-,25+,26+,27+/m0/s1
C27H45NO2415.65171100

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