Matches any text strings used to describe a molecule.
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 2307 results

Search term: C21H31N3O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4514933


3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
C21H31N3O5405.4879125163189010
4940720

Double-bond stereo
InChI=1/C21H31N3O5/c1-15(2)22-19(25)14-23-8-10-24(11-9-23)20(26)7-6-16-12-17(27-3)21(29-5)18(13-16)28-4/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,22,25)/b7-6+
C21H31N3O5405.4879253000
3800

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)
C21H31N3O5405.487920119800
23936477

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17+,18-/m0/s1
C21H31N3O5405.4879161300
12542683

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H31N3O5/c1-6-24(7-2)12-16-18(20(25)29-8-3)19(23-21(26)22-16)14-9-10-17(28-5)15(11-14)13-27-4/h9-11,19H,6-8,12-13H2,1-5H3,(H2,22,23,26)
C21H31N3O5405.4879141000
6000329
InChI=1/C21H31N3O5/c1-5-28-18(29-6-2)13-22-19(25)20(26)23-16-10-9-15-8-7-11-24(17(15)12-16)21(27)14(3)4/h9-10,12,14,18H,5-8,11,13H2,1-4H3,(H,22,25)(H,23,26)
C21H31N3O5405.4879131000
26618129

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H31N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16?,17-,18-/m0/s1
C21H31N3O5405.4879131400
7409784
InChI=1/C21H31N3O5/c1-2-13-28-18-5-3-4-6-19(18)29-17-21(26)23-9-7-22(8-10-23)16-20(25)24-11-14-27-15-12-24/h3-6H,2,7-17H2,1H3
C21H31N3O5405.487912800
10177352
InChI=1/C21H31N3O5/c1-2-3-4-5-6-11-22-20(25)17-7-8-18(19(16-17)24(26)27)23-12-9-21(10-13-23)28-14-15-29-21/h7-8,16H,2-6,9-15H2,1H3,(H,22,25)
C21H31N3O5405.4879121000
2177472
InChI=1/C21H31N3O5/c1-3-29-21(27)24-13-11-23(12-14-24)20(26)16-7-9-22(10-8-16)15-17-5-4-6-18(28-2)19(17)25/h4-6,16,25H,3,7-15H2,1-2H3
C21H31N3O5405.4879412700
21172922

Double-bond stereo
InChI=1/C21H31N3O5/c1-15(2)22-19(25)14-23-8-10-24(11-9-23)20(26)7-6-16-12-17(27-3)21(29-5)18(13-16)28-4/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,22,25)
C21H31N3O5405.4879121100
2320046
InChI=1/C21H31N3O5/c1-22-21(25)23-16-17(26-2)15-9-14-29-18(15)20(27-3)19(16)28-13-8-7-12-24-10-5-4-6-11-24/h9,14H,4-8,10-13H2,1-3H3,(H2,22,23,25)
C21H31N3O5405.48794111000
4589182

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H31N3O5/c1-3-29-21(28)18(12-11-17-9-5-4-6-10-17)22-16(2)20(27)24(15-19(25)26)23-13-7-8-14-23/h4-6,9-10,16,18,22H,3,7-8,11-15H2,1-2H3,(H,25,26)/t16-,18-/m0/s1
C21H31N3O5405.487910900
22130555

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H31N3O5/c1-3-29-20(26)14-23-21(27)24-11-5-7-16(15-24)9-10-19(25)22-13-17-6-4-8-18(12-17)28-2/h4,6,8,12,16H,3,5,7,9-11,13-15H2,1-2H3,(H,22,25)(H,23,27)
C21H31N3O5405.487910900
22187247
InChI=1/C21H31N3O5/c1-3-29-20(26)9-12-22-21(27)24-13-10-16(11-14-24)7-8-19(25)23-17-5-4-6-18(15-17)28-2/h4-6,15-16H,3,7-14H2,1-2H3,(H,22,27)(H,23,25)
C21H31N3O5405.487910900
22189017

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H31N3O5/c1-14(2)7-24-10-19(27-13-20-15(3)22-29-16(20)4)9-23(11-21(24)26)8-17-5-6-18(12-25)28-17/h5-6,14,19,25H,7-13H2,1-4H3
C21H31N3O5405.4879101000
22192881

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H31N3O5/c1-23(16-6-10-29-11-7-16)20(25)13-17-21(26)22-8-9-24(17)14-15-4-5-18(27-2)19(12-15)28-3/h4-5,12,16-17H,6-11,13-14H2,1-3H3,(H,22,26)
C21H31N3O5405.487910800
22232762

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H31N3O5/c1-2-29-19(26)13-21(7-4-3-5-8-21)23-18(25)12-17-20(27)22-9-10-24(17)14-16-6-11-28-15-16/h6,11,15,17H,2-5,7-10,12-14H2,1H3,(H,22,27)(H,23,25)
C21H31N3O5405.487910800
22239568

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H31N3O5/c1-3-27-21(25)24-9-7-23(8-10-24)17-5-4-6-22(14-17)13-16-11-18(26-2)20-19(12-16)28-15-29-20/h11-12,17H,3-10,13-15H2,1-2H3
C21H31N3O5405.487910800
22350038

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H31N3O5/c1-27-18-11-17(12-19(13-18)28-2)21(26)22-14-16-5-3-7-23(15-16)20(25)6-9-24-8-4-10-29-24/h11-13,16H,3-10,14-15H2,1-2H3,(H,22,26)
C21H31N3O5405.487910800
12345

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