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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 98 results

Search term: C21H33NO7 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445050

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21-/m0/s1
C21H33NO7411.4892313000
4884873

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16+,17-,21+/m1/s1
C21H33NO7411.4892141500
4882008

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21+/m0/s1
C21H33NO7411.4892101015
10903519
InChI=1/C19H31NO3.C2H2O4/c1-16(2)23-19-7-5-4-6-18(19)22-15-14-21-13-12-20-10-8-17(3)9-11-20;3-1(4)2(5)6/h4-7,16-17H,8-15H2,1-3H3;(H,3,4)(H,5,6)
C21H33NO7411.48929700
44210166

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H33NO7/c1-18(2,3)27-15(24)13-12-11(23)10-21(14(12)13,16(25)28-19(4,5)6)22-17(26)29-20(7,8)9/h12-14H,10H2,1-9H3,(H,22,26)/t12-,13-,14-,21-/m0/s1
C21H33NO7411.48929400
2195898
InChI=1/C19H31NO3.C2H2O4/c1-16-6-5-7-17(19(2,3)4)18(16)23-15-14-22-13-10-20-8-11-21-12-9-20;3-1(4)2(5)6/h5-7H,8-15H2,1-4H3;(H,3,4)(H,5,6)
C21H33NO7411.489229800
2207718

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C19H31NO3.C2H2O4/c1-14-6-7-15(2)19(18(14)5)22-11-10-21-9-8-20-12-16(3)23-17(4)13-20;3-1(4)2(5)6/h6-7,16-17H,8-13H2,1-5H3;(H,3,4)(H,5,6)
C21H33NO7411.489229800
4511280

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14?,16-,17+,21?/m0/s1
C21H33NO7411.48928700
10906440

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H31NO3.C2H2O4/c1-19(2,3)17-11-16(22-4)9-10-18(17)23-13-15(21)12-20-14-7-5-6-8-14;3-1(4)2(5)6/h9-11,14-15,20-21H,5-8,12-13H2,1-4H3;(H,3,4)(H,5,6)
C21H33NO7411.48928500
23043733
InChI=1/C19H31NO3.C2H2O4/c1-16-15-17(19(2,3)4)5-6-18(16)23-14-13-22-12-9-20-7-10-21-11-8-20;3-1(4)2(5)6/h5-6,15H,7-14H2,1-4H3;(H,3,4)(H,5,6)
C21H33NO7411.48928700
10142855

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21?/m0/s1
C21H33NO7411.48928600
10880994

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H31NO3.C2H2O4/c1-22-19-11-9-16(10-12-19)14-23-15-18(21)13-20-17-7-5-3-2-4-6-8-17;3-1(4)2(5)6/h9-12,17-18,20-21H,2-8,13-15H2,1H3;(H,3,4)(H,5,6)
C21H33NO7411.48928700
10884149

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C19H31NO3.C2H2O4/c1-14-10-15(19(2,3)4)7-8-18(14)23-13-17(22)12-20-9-5-6-16(21)11-20;3-1(4)2(5)6/h7-8,10,16-17,21-22H,5-6,9,11-13H2,1-4H3;(H,3,4)(H,5,6)
C21H33NO7411.48927600
2208222

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C19H31NO3.C2H2O4/c1-15-12-16(2)14-20(13-15)10-5-6-11-23-19-17(21-3)8-7-9-18(19)22-4;3-1(4)2(5)6/h7-9,15-16H,5-6,10-14H2,1-4H3;(H,3,4)(H,5,6)
C21H33NO7411.489227700
4525574

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7+
C21H33NO7411.489266300
533041

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3
C21H33NO7411.48926400
72384065
InChI=1/C21H33NO7/c1-21(2,3)29-20(24)22-10-12-26-14-16-27-15-13-25-11-9-19(23)28-17-18-7-5-4-6-8-18/h4-8H,9-17H2,1-3H3,(H,22,24)
C21H33NO7411.48926600
8844670

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H33NO7/c1-5-26-18-9-22-17(29-18)7-11(2)6-15-20(25)19(24)14(10-27-15)8-16-21(28-16)12(3)13(4)23/h7,9,12-16,19-21,23-25H,5-6,8,10H2,1-4H3/b11-7+/t12-,13-,14-,15-,16-,19+,20-,21-/m0/s1
C21H33NO7411.48924400
433262

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H33NO7/c1-10-11-13-16(29-18(20(3,4)5)22(13)19(26)28-9)21(6,7)14(12(2)23)15(24)17(25)27-8/h10,13-14,16,18H,1,11H2,2-9H3
C21H33NO7411.48924300
4200497

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H33NO7/c23-13-7-12-22-18(24)16-14-15(27-20(26-14)8-3-1-4-9-20)17-19(25-16)29-21(28-17)10-5-2-6-11-21/h14-17,19,23H,1-13H2,(H,22,24)
C21H33NO7411.489224200
12345

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