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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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Single/Multi-component
Isotopically Labeled
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Found 21 results

Search term: C21H39N3O6 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8750009

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H39N3O6/c1-11(2)8-15(22-14(7)25)17(26)10-18(27)23-16(9-12(3)4)20(28)24-19(13(5)6)21(29)30/h11-13,15-17,19,26H,8-10H2,1-7H3,(H,22,25)(H,23,27)(H,24,28)(H,29,30)/t15-,16-,17-,19-/m0/s1
C21H39N3O6429.55094300
80827909

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H39N3O6/c1-17(25)24-12-7-11-23(20(27)15-22-8-3-4-9-22)10-5-6-13-30-16-18(26)21(28)19(14-24)29-2/h18-19,21,26,28H,3-16H2,1-2H3/t18-,19-,21-/m0/s1
C21H39N3O6429.55093300
80829562

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H39N3O6/c1-15(2)12-19(27)24-10-9-23(21(29)16-6-5-7-22-16)8-3-4-11-30-14-18(26)20(28)17(25)13-24/h15-18,20,22,25-26,28H,3-14H2,1-2H3/t16-,17-,18+,20+/m0/s1
C21H39N3O6429.55093300
80829579

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H39N3O6/c1-15(2)12-19(27)24-10-9-23(21(29)16-6-5-7-22-16)8-3-4-11-30-14-18(26)20(28)17(25)13-24/h15-18,20,22,25-26,28H,3-14H2,1-2H3/t16-,17+,18-,20-/m1/s1
C21H39N3O6429.55093300
103809869

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H35N3O2.2CH2O2/c1-21-14-10-19(24,11-15-21)18(23)20-12-9-17-8-4-5-13-22(17)16-6-2-3-7-16;2*2-1-3/h16-17,24H,2-15H2,1H3,(H,20,23);2*1H,(H,2,3)
C21H39N3O6429.55092100
103811362
InChI=1/C19H35N3O2.2CH2O2/c1-24-17-7-6-10-20-13-15-21(16-14-20)18(23)19(8-2-3-9-19)22-11-4-5-12-22;2*2-1-3/h2-17H2,1H3;2*1H,(H,2,3)
C21H39N3O6429.55092100
103811788
InChI=1/C19H35N3O2.2CH2O2/c23-17-7-15-21(16-8-17)12-6-11-20-18(24)19(9-2-1-3-10-19)22-13-4-5-14-22;2*2-1-3/h17,23H,1-16H2,(H,20,24);2*1H,(H,2,3)
C21H39N3O6429.55092100
103828574

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C19H35N3O2.2CH2O2/c1-24-14-13-21-11-7-16(8-12-21)19(23)20-15-17-5-4-10-22-9-3-2-6-18(17)22;2*2-1-3/h16-18H,2-15H2,1H3,(H,20,23);2*1H,(H,2,3)/t17-,18+;;/m0../s1
C21H39N3O6429.55092100
8269710

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H39N3O6/c1-13(2)17(19(28)30-21(6,7)8)24-18(27)14(23-15(25)10-9-11-22)12-16(26)29-20(3,4)5/h13-14,17H,9-12,22H2,1-8H3,(H,23,25)(H,24,27)/t14-,17-/m0/s1
C21H39N3O6429.55092100
8630743

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H39N3O6/c1-20(2,3)29-17(25)14-28-15-9-12-24(13-10-15)18(26)16(22)8-7-11-23-19(27)30-21(4,5)6/h15-16H,7-14,22H2,1-6H3,(H,23,27)/t16-/m0/s1
C21H39N3O6429.55092100
8940352

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H39N3O6/c1-9-14(5)18(24-20(28)30-21(6,7)8)19(27)23-15(11-13(3)4)22-16(25)12-17(26)29-10-2/h13-15,18H,9-12H2,1-8H3,(H,22,25)(H,23,27)(H,24,28)/t14-,15-,18-/m0/s1
C21H39N3O6429.55092100
57578381
InChI=1/C21H39N3O6/c1-20(2,3)29-18(27)23-12-7-10-22(16-17(25)26)11-8-13-24(15-9-14-23)19(28)30-21(4,5)6/h7-16H2,1-6H3,(H,25,26)
C21H39N3O6429.55092100
59002123

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H39N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-29-15-16-13-24(23-22-16)21-20(28)19(27)18(26)17(14-25)30-21/h13,17-21,25-28H,2-12,14-15H2,1H3/t17-,18-,19+,20-,21-/m1/s1
C21H39N3O6429.55092200
59002544

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H39N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-29-15-16-13-24(23-22-16)21-20(28)19(27)18(26)17(14-25)30-21/h13,17-21,25-28H,2-12,14-15H2,1H3/t17-,18-,19+,20+,21-/m1/s1
C21H39N3O6429.55092200
73980061

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H39N3O6/c1-12(2)15(17(26)22-11-14(25)29-20(5,6)7)23-18(27)16(13(3)4)24-19(28)30-21(8,9)10/h12-13,15-16H,11H2,1-10H3,(H,22,26)(H,23,27)(H,24,28)/t15?,16-/m0/s1
C21H39N3O6429.55091100
73980116

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H39N3O6/c1-12(2)11-14(22-19(28)30-20(5,6)7)16(25)24-21(8,9)18(27)23-15(13(3)4)17(26)29-10/h12-15H,11H2,1-10H3,(H,22,28)(H,23,27)(H,24,25)/t14-,15-/m0/s1
C21H39N3O6429.55091100
17251092

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H39N3O6/c1-8-15(16(25)17(26)22-14-12-10-9-11-13-14)24(19(28)30-21(5,6)7)23-18(27)29-20(2,3)4/h14-16,25H,8-13H2,1-7H3,(H,22,26)(H,23,27)/t15-,16?/m1/s1
C21H39N3O6429.55091100
26667028

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H39N3O6/c1-12(2)11-14(22-19(28)30-20(5,6)7)16(25)23-15(13(3)4)17(26)24-21(8,9)18(27)29-10/h12-15H,11H2,1-10H3,(H,22,28)(H,23,25)(H,24,26)
C21H39N3O6429.55091100
29326796

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H39N3O6/c1-11(2)10-14(22-20(29)30-21(7,8)9)17(25)23-15(12(3)4)18(26)24-16(13(5)6)19(27)28/h11-16H,10H2,1-9H3,(H,22,29)(H,23,25)(H,24,26)(H,27,28)
C21H39N3O6429.55091100
12

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