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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 236 results

Search term: C25H28O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
64377

InChI=1/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
C25H28O3376.488110147120
193412


5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
C25H28O3376.488962812830
10645548
InChI=1/C25H28O3/c1-13-11-20(15(3)17(5)24(13)27)23(19-9-7-8-10-22(19)26)21-12-14(2)25(28)18(6)16(21)4/h7-12,23,26-28H,1-6H3
C25H28O3376.488533400
21402721
InChI=1/C25H28O3/c1-25(2)16-27-24(28-17-25)14-8-7-13-23(26)22-15-18-9-3-4-10-19(18)20-11-5-6-12-21(20)22/h3-6,9-12,15,24H,7-8,13-14,16-17H2,1-2H3
C25H28O3376.488282200
21402766
InChI=1/C25H28O3/c1-25(2)16-27-23(28-17-25)14-8-7-13-22(26)24-20-11-5-3-9-18(20)15-19-10-4-6-12-21(19)24/h3-6,9-12,15,23H,7-8,13-14,16-17H2,1-2H3
C25H28O3376.488272200
1369847
InChI=1/C25H28O3/c1-2-3-4-8-12-19-15-22-20-13-9-14-21(20)25(26)28-24(22)16-23(19)27-17-18-10-6-5-7-11-18/h5-7,10-11,15-16H,2-4,8-9,12-14,17H2,1H3
C25H28O3376.488261600
1285281
InChI=1/C25H28O3/c1-16-13-21(27-15-17-9-11-18(12-10-17)25(2,3)4)23-19-7-5-6-8-20(19)24(26)28-22(23)14-16/h9-14H,5-8,15H2,1-4H3
C25H28O3376.488231200
5564

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23-,25+/m1/s1
C25H28O3376.488232600
3629068
InChI=1/C25H28O3/c1-16-22(27-15-17-9-11-18(12-10-17)25(2,3)4)14-13-20-19-7-5-6-8-21(19)24(26)28-23(16)20/h9-14H,5-8,15H2,1-4H3
C25H28O3376.48802201200
4866447

Double-bond stereo
InChI=1/C25H28O3/c1-3-15-27-23-11-7-5-9-19(23)17-21-13-14-22(25(21)26)18-20-10-6-8-12-24(20)28-16-4-2/h5-12,17-18H,3-4,13-16H2,1-2H3/b21-17+,22-18+
C25H28O3376.488201200
4449230

Double-bond stereo
InChI=1/C25H28O3/c1-2-3-4-5-6-10-17-27-23-15-13-20(14-16-23)18-22-19-24(28-25(22)26)21-11-8-7-9-12-21/h7-9,11-16,18-19H,2-6,10,17H2,1H3/b22-18-
C25H28O3376.48802191300
59794

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H28O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
C25H28O3376.48819271261
2998893
InChI=1/C25H28O3/c1-14-15(2)17(4)23(18(5)16(14)3)13-27-19-10-11-21-20-8-6-7-9-22(20)25(26)28-24(21)12-19/h10-12H,6-9,13H2,1-5H3
C25H28O3376.48802181200
13755864
InChI=1/C25H28O3/c1-14-6-17(4)23(26)19(8-14)12-21-10-16(3)11-22(25(21)28)13-20-9-15(2)7-18(5)24(20)27/h6-11,26-28H,12-13H2,1-5H3
C25H28O3376.488171400
20202838
InChI=1/C25H28O3/c1-4-6-7-8-9-23-18(3)22-15-14-21(16-24(22)28-25(23)26)27-17-20-12-10-19(5-2)11-13-20/h5,10-16H,2,4,6-9,17H2,1,3H3
C25H28O3376.488151100
20202841

Double-bond stereo
InChI=1/C25H28O3/c1-3-4-5-9-14-23-19(2)22-16-15-21(18-24(22)28-25(23)26)27-17-10-13-20-11-7-6-8-12-20/h6-8,10-13,15-16,18H,3-5,9,14,17H2,1-2H3/b13-10+
C25H28O3376.488151100
20202861
InChI=1/C25H28O3/c1-14-10-22(27-13-21-17(4)15(2)12-16(3)18(21)5)24-19-8-6-7-9-20(19)25(26)28-23(24)11-14/h10-12H,6-9,13H2,1-5H3
C25H28O3376.488151100
21667842
InChI=1/C25H28O3/c1-14-12-15(2)17(4)22(16(14)3)13-27-23-11-10-20-19-8-6-7-9-21(19)25(26)28-24(20)18(23)5/h10-12H,6-9,13H2,1-5H3
C25H28O3376.488151100
2360587
InChI=1/C25H28O3/c1-14-6-21(12-19-8-15(2)23(26)16(3)9-19)25(28)22(7-14)13-20-10-17(4)24(27)18(5)11-20/h6-11,26-28H,12-13H2,1-5H3
C25H28O3376.4880214900
24599895
InChI=1/C25H28O3/c1-17(2)27-23-11-7-10-21(24(23)25(26)28-18(3)4)15-13-19-12-14-20-8-5-6-9-22(20)16-19/h5-12,14,16-18H,13,15H2,1-4H3
C25H28O3376.488131100
12345

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