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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
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Found 221 results

Search term: C27H45NO2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59019

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
C27H45NO2415.6517565700
10264360

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+/m0/s1
C27H45NO2415.6517373112
224494

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
C27H45NO2415.65172320128
5145939

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16?,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
C27H45NO2415.6517121100
10966289
InChI=1/C27H45NO2/c1-7-26(3,4)21-17-18-24(23(20-21)27(5,6)8-2)30-19-13-16-25(29)28-22-14-11-9-10-12-15-22/h17-18,20,22H,7-16,19H2,1-6H3,(H,28,29)
C27H45NO2415.651711700
17463319

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+,22-,23+,24-,25+,26+,27-/m1/s1
C27H45NO2415.651710700
276680

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3
C27H45NO2415.6517104500
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
201623

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
C27H45NO2415.65179700
2289617
InChI=1/C27H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-27(30)26-21-19-25(20-22-26)24(2)29/h19-22H,3-18,23H2,1-2H3,(H,28,30)
C27H45NO2415.65170000000191000
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
20141589

Double-bond stereo
InChI=1/C27H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-27(29)25-20-22-26(23-21-25)28(2)3/h11-12,20-23H,4-10,13-19,24H2,1-3H3/b12-11-
C27H45NO2415.65178800
24600615

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H45NO2/c1-16-4-9-25-27(3,30)23-8-7-19-20-6-5-17-12-18(29)10-11-26(17,2)24(20)13-21(19)22(23)15-28(25)14-16/h16-25,29-30H,4-15H2,1-3H3/t16-,17-,18-,19-,20-,21+,22-,23+,24-,25-,26-,27-/m0/s1
C27H45NO2415.65178600
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
9593481
InChI=1/C27H45NO2/c1-30-25-19-20-27-26(22-25)24(23-28-27)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-29/h19-20,22-23,28-29H,2-18,21H2,1H3
C27H45NO2415.65178600
9627603
InChI=1/C27H45NO2/c1-30-26-21-18-20-25-27(26)24(23-28-25)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22-29/h18,20-21,23,28-29H,2-17,19,22H2,1H3
C27H45NO2415.65178600
62924991

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17+,18?,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
C27H45NO2415.65177600
81422421

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21?,22?,23+,24-,25+,26+,27-/m1/s1
C27H45NO2415.65176500
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
10181207

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H45NO2/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24H,5-15,28H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
C27H45NO2415.65176503
12345

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