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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 226 results

Search term: C27H39NO2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5845

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1
C27H39NO2409.604169700692
8063420

Double-bond stereo
InChI=1/C27H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26-22-21-25(29)23-24(26)2/h7-8,10-11,13-14,16-17,21-23,29H,3-6,9,12,15,18-20H2,1-2H3,(H,28,30)/b8-7-,11-10-,14-13-,17-16-
C27H39NO2409.6041345100
297654

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H39NO2/c1-26(2,3)22-17-20(18-23(25(22)29)27(4,5)6)24(28-15-9-8-10-16-28)19-11-13-21(30-7)14-12-19/h11-14,17-18,24,29H,8-10,15-16H2,1-7H3
C27H39NO2409.6041271500
8539628

Double-bond stereo
InChI=1/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-27(30)25-20-22-26(29)23-21-25/h6-7,9-10,12-13,15-16,20-23,29H,2-5,8,11,14,17-19,24H2,1H3,(H,28,30)/b7-6-,10-9-,13-12-,16-15-
C27H39NO2409.6041262400
28467809

Double-bond stereo
InChI=1/C27H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26-22-21-25(29)23-24(26)2/h7-8,10-11,13-14,16-17,21-23,29H,3-6,9,12,15,18-20H2,1-2H3,(H,28,30)/b8-7+,11-10+,14-13+,17-16+
C27H39NO2409.6041191300
28469190

Double-bond stereo
InChI=1/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-27(30)25-20-22-26(29)23-21-25/h6-7,9-10,12-13,15-16,20-23,29H,2-5,8,11,14,17-19,24H2,1H3,(H,28,30)/b7-6+,10-9+,13-12+,16-15+
C27H39NO2409.6041171200
21330995
InChI=1/C27H39NO2/c1-4-27(2,3)23-10-14-25(15-11-23)30-21-19-28-24-12-16-26(17-13-24)29-20-18-22-8-6-5-7-9-22/h10-17,22,28H,4-9,18-21H2,1-3H3
C27H39NO2409.604117800
2694186

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO2/c1-5-17-28(21-22-11-13-25(29-4)14-12-22)18-15-26(23-9-7-6-8-10-23)24-16-19-30-27(2,3)20-24/h6-14,24,26H,5,15-21H2,1-4H3
C27H39NO2409.60406171200
3423106
InChI=1/C27H39NO2/c1-3-5-7-8-9-10-11-13-21-30-27(29)25-18-16-24(17-19-25)26-20-15-23(22-28-26)14-12-6-4-2/h15-20,22H,3-14,21H2,1-2H3
C27H39NO2409.60406171200
2938028

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO2/c1-20(2)26-18-27(15-17-29-26,24-10-6-22(5)7-11-24)14-16-28-19-23-8-12-25(13-9-23)30-21(3)4/h6-13,20-21,26,28H,14-19H2,1-5H3
C27H39NO2409.6040616900
200149

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3
C27H39NO2409.6041155200
2635662

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H39NO2/c1-6-27(29)28(20-23-10-8-7-9-11-23)19-18-25(13-12-21(2)3)24-14-16-26(17-15-24)30-22(4)5/h7-11,14-17,21-22,25H,6,12-13,18-20H2,1-5H3
C27H39NO2409.6041131000
3013345

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO2/c1-7-27(6,23-11-9-8-10-12-23)17-18-28-26(29)19-25(20(2)3)22-13-15-24(16-14-22)30-21(4)5/h8-16,20-21,25H,7,17-19H2,1-6H3,(H,28,29)
C27H39NO2409.6040613900
2400483
InChI=1/C27H39NO2/c1-3-30-26-21-19-25(20-22-26)28-27(29)14-12-10-8-6-4-5-7-9-11-13-24-17-15-23(2)16-18-24/h15-22H,3-14H2,1-2H3,(H,28,29)
C27H39NO2409.6040612500
21862540

Double-bond stereo
InChI=1/C27H39NO2/c1-3-5-7-9-10-11-13-23-14-17-25(18-15-23)28-22-24-16-19-26(21-27(24)29)30-20-12-8-6-4-2/h14-19,21-22,29H,3-13,20H2,1-2H3/b28-22+
C27H39NO2409.604112800
2996778

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H39NO2/c1-22(2)28(20-24-11-13-25(29-5)14-12-24)17-15-27(16-18-30-26(3,4)21-27)19-23-9-7-6-8-10-23/h6-14,22H,15-21H2,1-5H3
C27H39NO2409.6040611700
293428

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H39NO2/c1-26(2,3)20-17-22(25(29)23(18-20)27(4,5)6)24(28-15-9-8-10-16-28)19-11-13-21(30-7)14-12-19/h11-14,17-18,24,29H,8-10,15-16H2,1-7H3
C27H39NO2409.60419700
20304102

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO2/c1-3-5-10-19-27(29,24-15-17-25(18-16-24)30-4-2)26(23-13-8-6-9-14-23)22-28-20-11-7-12-21-28/h6,8-9,13-18,26,29H,3-5,7,10-12,19-22H2,1-2H3
C27H39NO2409.60418500
20304103

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO2/c1-4-30-25-15-13-24(14-16-25)27(29,18-17-22(2)3)26(23-11-7-5-8-12-23)21-28-19-9-6-10-20-28/h5,7-8,11-16,22,26,29H,4,6,9-10,17-21H2,1-3H3
C27H39NO2409.60418500
20304108

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO2/c1-3-5-6-10-17-27(29,25-15-13-23(4-2)14-16-25)26(24-11-8-7-9-12-24)22-28-18-20-30-21-19-28/h7-9,11-16,26,29H,3-6,10,17-22H2,1-2H3
C27H39NO2409.60418600
12345

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