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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 127 results

Search term: C22H29N7O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
388623

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1
C22H29N7O5471.509661198026
4811

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)
C22H29N7O5471.509617282900
29785421
InChI=1/C19H23N7O2.C3H6O3/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26;1-2(4)3(5)6/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27);2,4H,1H3,(H,5,6)/t;2-/m.0/s1
C22H29N7O5471.509616900
7951829

Double-bond stereo
InChI=1/C22H29N7O5/c1-32-18-13-16(5-6-17(18)34-15-19(30)31)14-23-27-20-24-21(28-7-3-2-4-8-28)26-22(25-20)29-9-11-33-12-10-29/h5-6,13-14H,2-4,7-12,15H2,1H3,(H,30,31)(H,24,25,26,27)/b23-14+
C22H29N7O5471.509612800
5680

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15-,16-,18-,22-/m1/s1
C22H29N7O5471.5096111100
2006512

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14?,15-,16-,18-,22-/m1/s1
C22H29N7O5471.5095610600
30058196
InChI=1/C22H29N7O5/c1-6-7-10-28(15-16(23)29(11-12(2)3)21(33)25-18(15)30)20(32)14-9-8-13-17(24-14)26(4)22(34)27(5)19(13)31/h8-9,12H,6-7,10-11,23H2,1-5H3,(H,25,30,33)
C22H29N7O5471.50968700
44217276
InChI=1/C22H29N7O5/c1-26-20-18(21(31)27(2)22(26)32)29(13-23-20)12-17(30)28-7-3-14(4-8-28)11-16-24-19(25-34-16)15-5-9-33-10-6-15/h13-15H,3-12H2,1-2H3
C22H29N7O5471.50967500
11158778
InChI=1/C22H29N7O5/c1-3-10-29-20(23)19(21(32)27-22(29)33)28(11-12-34-2)18(31)9-8-17(30)24-13-16-25-14-6-4-5-7-15(14)26-16/h4-7H,3,8-13,23H2,1-2H3,(H,24,30)(H,25,26)(H,27,32,33)
C22H29N7O5471.50967500
25964514
InChI=1/C22H29N7O5/c1-3-33-21(31)28-11-7-26(8-12-28)16-5-6-17-18(15-16)23-19(25-24-17)20(30)27-9-13-29(14-10-27)22(32)34-4-2/h5-6,15H,3-4,7-14H2,1-2H3
C22H29N7O5471.50966400
4642537

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22?/m0/s1
C22H29N7O5471.50966500
10128105

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16?,18+,22+/m0/s1
C22H29N7O5471.50964400
3796934

Double-bond stereo
InChI=1/C22H29N7O5/c1-32-18-13-16(5-6-17(18)34-15-19(30)31)14-23-27-20-24-21(28-7-3-2-4-8-28)26-22(25-20)29-9-11-33-12-10-29/h5-6,13-14H,2-4,7-12,15H2,1H3,(H,30,31)(H,24,25,26,27)
C22H29N7O5471.509564200
60599449

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16?,18-,22+/m0/s1
C22H29N7O5471.50964600
64879836
InChI=1/C19H23N7O2.C3H6O3/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26;1-2(4)3(5)6/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27);2,4H,1H3,(H,5,6)
C22H29N7O5471.50964400
70956105

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29N7O5/c1-27(2)22(32)23-10-20(30)28-12-18-19(13-28)34-14-16-11-29(26-25-16)7-4-8-33-17-6-3-5-15(9-17)21(31)24-18/h3,5-6,9,11,18-19H,4,7-8,10,12-14H2,1-2H3,(H,23,32)(H,24,31)/t18-,19-/m0/s1
C22H29N7O5471.50964400
26643065

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H29N7O5/c1-12(33-9-13-6-4-3-5-7-13)15(24-2)21(32)25-8-14-17(30)18(31)22(34-14)29-11-28-16-19(23)26-10-27-20(16)29/h3-7,10-12,14-15,17-18,22,24,30-31H,8-9H2,1-2H3,(H,25,32)(H2,23,26,27)/t12-,14-,15+,17-,18-,22-/m1/s1
C22H29N7O5471.50963200
28519843

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,14?,15+/m1/s1
C22H29N7O5471.50963300
12065584
InChI=1/C22H29N7O5/c30-29(31)20-21(23-3-4-26-9-11-32-12-10-26)24-15-25-22(20)28-7-5-27(6-8-28)14-17-1-2-18-19(13-17)34-16-33-18/h1-2,13,15H,3-12,14,16H2,(H,23,24,25)
C22H29N7O5471.50963200
5036489

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16-,18-,22+/m0/s1
C22H29N7O5471.50963300
12345

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