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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 79 results

Search term: C22H45NO3 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6896
InChI=1/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h24-25H,2-21H2,1H3
C22H45NO3371.59764549136
23935626

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)20(19-24)23-22(26)17-4-2/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)/t20-,21+/m0/s1
C22H45NO3371.5976191600
94188
InChI=1/C22H45NO3/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)23(17-19-24)18-20-25/h21,24-25H,3-20H2,1-2H3
C22H45NO3371.5976141900
77602

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20(2)24)19-21(3)25/h20-21,24-25H,4-19H2,1-3H3
C22H45NO3371.5976131500
141770
InChI=1/C18H36O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-6-4-2-5-1/h2-17H2,1H3,(H,19,20);5H,1-4H2
C22H45NO3371.5976131400
102371
InChI=1/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24/h23-24H,2-21H2,1H3
C22H45NO3371.5976101100
327059
InChI=1/C22H45NO3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25-5-2)26-6-3/h22H,4-20H2,1-3H3,(H,23,24)
C22H45NO3371.59768600
3650992

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)20(19-24)23-22(26)17-4-2/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)
C22H45NO3371.5976000000018500
20143130

Double-bond stereo
InChI=1/C22H43NO2.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22(24)25;/h11-12H,4-10,13-21H2,1-3H3;1H2/b12-11-;
C22H45NO3371.59767900
32701142

Double-bond stereo
InChI=1/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26,19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3/b10-9-
C22H45NO3371.59766800
4945341

Double-bond stereo
InChI=1/C18H34O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4(2,5)3-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);6H,3,5H2,1-2H3/b10-9-;
C22H45NO3371.59765600
28590948

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H45NO3/c1-8-9-10-11-12-13-14-16-19(20(24-6)25-7)26-23-21(2,3)17-15-18-22(23,4)5/h19-20H,8-18H2,1-7H3
C22H45NO3371.59764400
28591627
InChI=1/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h2-21,23H2,1H3
C22H45NO3371.59764300
4946230

Double-bond stereo
InChI=1/C18H34O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6-4-2-3-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H2,1H3/b10-9-;
C22H45NO3371.59764400
67153482
InChI=1/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-18-20-26-21-19-24/h24H,2-21H2,1H3,(H,23,25)
C22H45NO3371.59764400
27023827

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H45NO3/c1-3-4-5-9-12-15-20(2)16-13-10-7-6-8-11-14-17-22(26)23-21(18-24)19-25/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)
C22H45NO3371.59763300
28694470

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)23-19-21(20-24)26-2/h21,24H,3-20H2,1-2H3,(H,23,25)
C22H45NO3371.59763300
57508216
InChI=1/C22H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)22(25)26-21-20-24/h24H,3-21H2,1-2H3
C22H45NO3371.59763300
4946222

Double-bond stereo
InChI=1/C18H34O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-5-3-4-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-6H,2-4H2,1H3/b10-9-;
C22H45NO3371.59763300
95049
InChI=1/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-20-24)21-22(25)26/h24H,2-21H2,1H3,(H,25,26)
C22H45NO3371.59763300
1234

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