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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 3349 results

Search term: C22H31N3O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
50831

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1
C22H31N3O5417.4986726600
4445611

Double-bond stereo
InChI=1/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/b7-6+
C22H31N3O5417.4986596900
2657

Double-bond stereo
InChI=1/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3
C22H31N3O5417.4986292800
28600554

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H31N3O5/c1-21(2,3)30-20(28)25-13-12-24(15-22(16-25)11-7-10-18(26)23-22)19(27)29-14-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3,(H,23,26)
C22H31N3O5417.4986232000
29739072
InChI=1/C22H31N3O5/c1-22(2,3)30-21(28)25-13-7-12-24(19(25)26)18-10-14-23(15-11-18)20(27)29-16-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-16H2,1-3H3
C22H31N3O5417.4986192100
380047

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H31N3O5/c1-13(2)18(20(27)29-6)25-19(26)17(24-21(28)30-22(3,4)5)11-14-12-23-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,23H,11H2,1-6H3,(H,24,28)(H,25,26)
C22H31N3O5417.4986171200
577336
InChI=1/C22H31N3O5/c1-5-30-22(27)21-20(15-11-17(28-3)18(29-4)12-16(15)23-21)24-19(26)13-25(2)14-9-7-6-8-10-14/h11-12,14,23H,5-10,13H2,1-4H3,(H,24,26)
C22H31N3O5417.4986161100
2472401
InChI=1/C22H31N3O5/c1-15(2)9-10-25(14-20(26)23-16-5-3-4-6-16)22(28)21(27)24-17-7-8-18-19(13-17)30-12-11-29-18/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,23,26)(H,24,27)
C22H31N3O5417.498616800
2483480

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H31N3O5/c1-14(26)23-18(13-16-5-4-6-19(29-2)20(16)30-3)21(27)24-17-9-11-25(12-10-17)22(28)15-7-8-15/h4-6,15,17-18H,7-13H2,1-3H3,(H,23,26)(H,24,27)
C22H31N3O5417.498616800
2490882

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H16N2O5.C6H15N/c1-16(2)22-14(20)12(15(21)23-16)11(10(8-17)13(18)19)9-6-4-3-5-7-9;1-4-7(5-2)6-3/h3-7,10-11,20H,1-2H3,(H2,18,19);4-6H2,1-3H3
C22H31N3O5417.4986151400
24957722

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H31N3O5/c1-22(2,3)30-21(28)25-14-13-24(15-18(25)19(26)23-11-7-8-12-23)20(27)29-16-17-9-5-4-6-10-17/h4-6,9-10,18H,7-8,11-16H2,1-3H3
C22H31N3O5417.4986151200
2797090

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H31N3O5/c1-7-29-22(27)19-15(4)24(5)16-8-9-17(28-6)21(20(16)19)23-18(26)12-25-10-13(2)30-14(3)11-25/h8-9,13-14H,7,10-12H2,1-6H3,(H,23,26)
C22H31N3O5417.49864141000
3222011

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H31N3O5/c1-22(17-3-5-18(28-2)6-4-17)19(15-23-7-11-29-12-8-23)20(26)25(21(22)27)16-24-9-13-30-14-10-24/h3-6,19H,7-16H2,1-2H3
C22H31N3O5417.498614900
4203529
InChI=1/C22H31N3O5/c1-22(2,3)24-21(29)23-18(26)14-30-20(28)17-13-9-8-12-16(17)19(27)25(4)15-10-6-5-7-11-15/h8-9,12-13,15H,5-7,10-11,14H2,1-4H3,(H2,23,24,26,29)
C22H31N3O5417.49864141100
1454412
InChI=1/C22H31N3O5/c1-5-30-22(27)21-20(15-12-17(28-3)18(29-4)13-16(15)23-21)24-19(26)8-11-25-9-6-14(2)7-10-25/h12-14,23H,5-11H2,1-4H3,(H,24,26)
C22H31N3O5417.4986141100
4653987

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H27N3O.C4H4O4/c1-13-9-14(2)18(15(3)10-13)19-17(22)12-20-7-8-21-6-4-5-16(21)11-20;5-3(6)1-2-4(7)8/h9-10,16H,4-8,11-12H2,1-3H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+
C22H31N3O5417.4986141200
5500915
InChI=1/C22H31N3O5/c1-5-23(6-2)20(26)16-25-15-18(17-9-7-8-10-19(17)25)21(27)22(28)24(11-13-29-3)12-14-30-4/h7-10,15H,5-6,11-14,16H2,1-4H3
C22H31N3O5417.4986141100
5508260
InChI=1/C22H31N3O5/c1-24(13-10-16-8-9-17(29-2)18(14-16)30-3)19(26)15-25-20(27)22(23-21(25)28)11-6-4-5-7-12-22/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,23,28)
C22H31N3O5417.498613800
4287401

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H31N3O5/c1-4-30-22(28)21-20(17-13-16(29-3)8-9-18(17)24(21)2)23-19(27)14-25-11-6-5-7-15(25)10-12-26/h8-9,13,15,26H,4-7,10-12,14H2,1-3H3,(H,23,27)
C22H31N3O5417.49864131000
4320557

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H31N3O5/c1-6-30-22(27)20-19(15-10-17(28-4)18(29-5)11-16(15)23-20)24-21(26)14(3)25-9-7-8-13(2)12-25/h10-11,13-14,23H,6-9,12H2,1-5H3,(H,24,26)
C22H31N3O5417.49864131000
12345

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