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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 95 results

Search term: C21H39NO3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5289148

Double-bond stereo
InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10-
C21H39NO3353.5393584311
91302

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)22-18-15-16-19(22)21(24)25/h19H,2-18H2,1H3,(H,24,25)
C21H39NO3353.5393363000
4732376

Double-bond stereo
InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10+
C21H39NO3353.5393362800
19975146

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)22-18-15-16-19(22)21(24)25/h19H,2-18H2,1H3,(H,24,25)/t19-/m0/s1
C21H39NO3353.5393282301
3477734

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-15-18-22-19(23)25-21(20(22,2)24)16-13-12-14-17-21/h24H,3-18H2,1-2H3
C21H39NO3353.539260000001181200
23283780

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,23)(H,24,25)/b11-10-/t19-/m0/s1
C21H39NO3353.5393151700
18755162

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-21(24)19-16-17-20(23)22-19/h19H,2-18H2,1H3,(H,22,23)/t19-/m0/s1
C21H39NO3353.5393111500
2558514

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H39NO3/c1-4-7-12-16-22(17-13-8-5-2)20(23)19(21(24)25-6-3)18-14-10-9-11-15-18/h18-19H,4-17H2,1-3H3
C21H39NO3353.539311700
29771732

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H39NO3/c1-7-9-21(11-14-25-20(5,6)16-21)10-12-22(17(2)23)18-8-13-24-19(3,4)15-18/h18H,7-16H2,1-6H3
C21H39NO3353.53938600
21230087

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)25-21(24)19-16-17-20(23)22-19/h18-19H,3-17H2,1-2H3,(H,22,23)/t18?,19-/m0/s1
C21H39NO3353.53938700
54988

Double-bond stereo
InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)
C21H39NO3353.53936400
4947812

Double-bond stereo
InChI=1/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)22-20(18-23)19-24/h6-7,9-10,20,23-24H,2-5,8,11-19H2,1H3,(H,22,25)/b7-6-,10-9-
C21H39NO3353.53935600
71287787

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H39NO3/c1-18(2)23-15-16-24-20-9-14-25-21(17-20)10-12-22(13-11-21)19-7-5-3-4-6-8-19/h18-20H,3-17H2,1-2H3
C21H39NO3353.53935500
114876113

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,23)(H,24,25)/b11-10-/t19-/m1/s1
C21H39NO3353.53935500
8082217

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,23)(H,24,25)/b11-10+
C21H39NO3353.53935400
21230088

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-18(4-2)25-21(24)19-16-17-20(23)22-19/h18-19H,3-17H2,1-2H3,(H,22,23)/t18?,19-/m0/s1
C21H39NO3353.53935500
9967070

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19-20(25-19)21(22)24/h19-20H,2-17H2,1H3,(H2,22,24)/t19-,20-/m1/s1
C21H39NO3353.53934300
198130

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H39NO3/c1-6-7-8-9-12-24-14-15-25-13-10-11-22-20(23)19-18(16-17(2)3)21(19,4)5/h16,18-19H,6-15H2,1-5H3,(H,22,23)
C21H39NO3353.53934300
362061

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H39NO3/c1-3-22(4-2)16-17-25-20(23)19(18-12-8-7-9-13-18)21(24)14-10-5-6-11-15-21/h18-19,24H,3-17H2,1-2H3
C21H39NO3353.53934300
371944

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H39NO3/c1-4-22(5-2)15-16-25-20(23)21(24,18-9-7-6-8-10-18)19-13-11-17(3)12-14-19/h17-19,24H,4-16H2,1-3H3
C21H39NO3353.53934300
12345

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