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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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Isotopically Labeled
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Found 4247 results

Search term: C25H28N4O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32820044

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H28N4O5/c1-34-17-9-10-19-18(15-17)23(31)28-20(14-16-6-3-2-4-7-16)24(32)26-12-11-22(30)29-13-5-8-21(29)25(33)27-19/h2-4,6-7,9-10,15,20-21H,5,8,11-14H2,1H3,(H,26,32)(H,27,33)(H,28,31)
C25H28N4O5464.5136222900
4665988

Double-bond stereo
InChI=1/C25H28N4O5/c1-32-20-8-5-18(6-9-20)15-21(25(31)27-11-4-13-29-14-12-26-17-29)28-24(30)19-7-10-22(33-2)23(16-19)34-3/h5-10,12,14-17H,4,11,13H2,1-3H3,(H,27,31)(H,28,30)/b21-15+
C25H28N4O5464.5136201300
4157323
InChI=1/C25H28N4O5/c1-2-3-12-34-20-7-4-18(5-8-20)24(31)27-19-6-9-22-21(15-19)25(32)29(17-26-22)16-23(30)28-10-13-33-14-11-28/h4-9,15,17H,2-3,10-14,16H2,1H3,(H,27,31)
C25H28N4O5464.51362201300
2216047
InChI=1/C25H28N4O5/c1-18(2)34-21-6-3-5-19(15-21)25(30)28-12-10-27(11-13-28)20-8-9-24(29(31)32)23(16-20)26-17-22-7-4-14-33-22/h3-9,14-16,18,26H,10-13,17H2,1-2H3
C25H28N4O5464.51362191400
3013163
InChI=1/C25H28N4O5/c1-19(30)34-17-16-27-12-14-28(15-13-27)22(31)18-29-23(32)25(26-24(29)33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11H,12-18H2,1H3,(H,26,33)
C25H28N4O5464.51362181200
3607892

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H28N4O5/c1-2-32-24(31)21-22(18-6-4-3-5-7-18)26-25(27-23(21)30)29-12-10-28(11-13-29)15-17-8-9-19-20(14-17)34-16-33-19/h3-9,14,21-22H,2,10-13,15-16H2,1H3,(H,26,27,30)
C25H28N4O5464.51362181100
17529360

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28N4O5/c1-16-3-6-20(7-4-16)28-15-19(13-23(28)30)25(32)27-11-9-18(10-12-27)24(31)26-22-14-21(29(33)34)8-5-17(22)2/h3-8,14,18-19H,9-13,15H2,1-2H3,(H,26,31)
C25H28N4O5464.5136171400
17529368

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28N4O5/c1-16-6-8-20(9-7-16)28-15-19(14-23(28)30)25(32)27-12-10-18(11-13-27)24(31)26-21-4-3-5-22(17(21)2)29(33)34/h3-9,18-19H,10-15H2,1-2H3,(H,26,31)
C25H28N4O5464.5136171300
3365709
InChI=1/C25H28N4O5/c1-24(2,3)22(33)26-15-11-14(12-16(13-15)27-23(34)25(4,5)6)19(30)28-29-20(31)17-9-7-8-10-18(17)21(29)32/h7-13H,1-6H3,(H,26,33)(H,27,34)(H,28,30)
C25H28N4O5464.51362171100
2246467
InChI=1/C25H28N4O5/c1-18(2)34-21-8-5-19(6-9-21)25(30)28-13-11-27(12-14-28)20-7-10-24(29(31)32)23(16-20)26-17-22-4-3-15-33-22/h3-10,15-16,18,26H,11-14,17H2,1-2H3
C25H28N4O5464.51362171300
2253618
InChI=1/C25H28N4O5/c1-2-15-33-21-8-5-19(6-9-21)25(30)28-13-11-27(12-14-28)20-7-10-24(29(31)32)23(17-20)26-18-22-4-3-16-34-22/h3-10,16-17,26H,2,11-15,18H2,1H3
C25H28N4O5464.51362171400
561346

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28N4O5/c30-22(16-27-24(31)21-11-6-14-34-21)29(17-20-10-5-13-33-20)23(18-7-4-12-26-15-18)25(32)28-19-8-2-1-3-9-19/h4-7,10-15,19,23H,1-3,8-9,16-17H2,(H,27,31)(H,28,32)
C25H28N4O5464.513616900
21436042

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H28N4O5/c1-14-11-22(30)34-21-13-18(9-10-19(14)21)28-25(33)20(12-17-7-5-4-6-8-17)29-24(32)16(3)27-23(31)15(2)26/h4-11,13,15-16,20H,12,26H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/t15-,16-,20-/m0/s1
C25H28N4O5464.5136161400
4655749

Double-bond stereo
InChI=1/C25H28N4O5/c1-3-28(4-2)14-15-34-24(32)19-10-12-20(13-11-19)26-16-21-22(30)27-25(33)29(23(21)31)17-18-8-6-5-7-9-18/h5-13,16,26H,3-4,14-15,17H2,1-2H3,(H,27,30,33)/b21-16+
C25H28N4O5464.5136161400
4720171

Double-bond stereo
InChI=1/C25H28N4O5/c1-16-6-8-18(9-7-16)26-23(30)15-29-24(31)19(27-25(29)32)12-17-13-22(34-3)20(14-21(17)33-2)28-10-4-5-11-28/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,26,30)(H,27,32)/b19-12-
C25H28N4O5464.5136161200
17318494
InChI=1/C25H28N4O5/c1-33-20-10-7-16(14-21(20)34-2)11-12-26-23(30)24(31)27-17-8-9-19-18(15-17)25(32)29-13-5-3-4-6-22(29)28-19/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,26,30)(H,27,31)
C25H28N4O5464.5136161200
4334887

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H28N4O5/c1-33-19-12-18(13-20(14-19)34-2)29-22(30)15-21(23(29)31)27-10-8-25(9-11-27)24(32)26-16-28(25)17-6-4-3-5-7-17/h3-7,12-14,21H,8-11,15-16H2,1-2H3,(H,26,32)
C25H28N4O5464.51362151100
21637910
InChI=1/C25H28N4O5/c1-16-14-19(24(32)34-3)21-22(26-16)29(18-12-8-5-9-13-18)25(33)28(23(21)31)15-20(30)27(2)17-10-6-4-7-11-17/h5,8-9,12-14,17H,4,6-7,10-11,15H2,1-3H3
C25H28N4O5464.5136151300
1471898
InChI=1/C25H28N4O5/c1-16-3-5-19-18(11-16)23(24(26-19)25(31)32-2)27-22(30)14-29-9-7-28(8-10-29)13-17-4-6-20-21(12-17)34-15-33-20/h3-6,11-12,26H,7-10,13-15H2,1-2H3,(H,27,30)
C25H28N4O5464.5136151000
2483373
InChI=1/C25H28N4O5/c1-31-20-4-2-3-18(15-20)24-23(26-17-34-24)25(30)27-21-6-5-19(28-7-11-32-12-8-28)16-22(21)29-9-13-33-14-10-29/h2-6,15-17H,7-14H2,1H3,(H,27,30)
C25H28N4O5464.513615800
12345

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