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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 43 results

Search term: C34H49N5O6 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5293532

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
C34H49N5O6623.782759999998332700
29342070

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30?/m0/s1
C34H49N5O6623.7828154100
411035

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1
C34H49N5O6623.7828141300
23327938

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26+,27+,29-,30+/m1/s1
C34H49N5O6623.7828121200
400042

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C34H49N5O6/c1-34(2,3)38-32(43)39(21-25-15-9-5-10-16-25)22-29(40)27(19-24-13-7-4-8-14-24)36-31(42)28(20-30(35)41)37-33(44)45-23-26-17-11-6-12-18-26/h4,6-8,11-14,17-18,25,27-29,40H,5,9-10,15-16,19-23H2,1-3H3,(H2,35,41)(H,36,42)(H,37,44)(H,38,43)/t27-,28-,29+/m0/s1
C34H49N5O6623.78287600
24576025

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H49N5O6/c1-25(2)23-30(37-31(40)27-12-15-29(16-13-27)44-22-19-39-17-20-43-21-18-39)32(41)36-28(14-11-26-9-7-6-8-10-26)24-35-38-33(42)45-34(3,4)5/h6-10,12-13,15-16,24-25,28,30H,11,14,17-23H2,1-5H3,(H,36,41)(H,37,40)(H,38,42)/b35-24+/t28-,30-/m0/s1
C34H49N5O6623.78284400
10675309

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)
C34H49N5O6623.782845500
24645067

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C34H49N5O6/c1-4-7-11-23-45-34(44)39-21-19-38(20-22-39)33(43)28(16-17-31(40)41)36-32(42)30-25-26(13-12-18-37(5-2)6-3)24-29(35-30)27-14-9-8-10-15-27/h8-10,14-15,24-25,28H,4-7,11-13,16-23H2,1-3H3,(H,36,42)(H,40,41)/t28-/m0/s1
C34H49N5O6623.78284300
24645691

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C34H49N5O6/c1-4-5-9-21-45-34(44)39-19-17-38(18-20-39)33(43)28(14-15-31(40)41)37-32(42)30-23-26(11-10-16-35-24-25(2)3)22-29(36-30)27-12-7-6-8-13-27/h6-8,12-13,22-23,25,28,35H,4-5,9-11,14-21,24H2,1-3H3,(H,37,42)(H,40,41)/t28-/m0/s1
C34H49N5O6623.78284300
71343536

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C34H49N5O6/c1-22(2)31-34(43)36-18-9-13-25-15-16-28(44-5)29(20-25)45-21-30(40)35-17-10-14-26(37-23(3)4)32(41)38-27(33(42)39-31)19-24-11-7-6-8-12-24/h6-8,11-12,15-16,20,22-23,26-27,31,37H,9-10,13-14,17-19,21H2,1-5H3,(H,35,40)(H,36,43)(H,38,41)(H,39,42)/t26-,27-,31+/m0/s1
C34H49N5O6623.78284400
76803143

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29?,30-/m0/s1
C34H49N5O6623.78283300
80818348

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C34H49N5O6/c1-25-17-18-26(24-35-25)30(40)36(5)20-12-15-28-32(42)37(6)19-10-11-21-39(33(43)45-34(2,3)4)22-13-23-44-29-16-9-8-14-27(29)31(41)38(28)7/h8-9,14,16-18,24,28H,10-13,15,19-23H2,1-7H3/t28-/m0/s1
C34H49N5O6623.78283300
68057561

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-15-25(40)6-2)31(41)36-27(32(42)37-30)21-24-20-23-14-10-11-17-28(23)39(24)45-4/h10-11,14,17,20,22,26-27,29-30H,5-9,12-13,15-16,18-19,21H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26+,27+,29-,30+/m1/s1
C34H49N5O6623.78283200
22906011

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30?/m0/s1
C34H49N5O6623.78283100
23211158

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C34H49N5O6/c1-34(2,3)39(32(43)36-21-25-15-9-5-10-16-25)22-29(40)27(19-24-13-7-4-8-14-24)37-31(42)28(20-30(35)41)38-33(44)45-23-26-17-11-6-12-18-26/h4,6-8,11-14,17-18,25,27-29,40H,5,9-10,15-16,19-23H2,1-3H3,(H2,35,41)(H,36,43)(H,37,42)(H,38,44)/t27-,28-,29+/m0/s1
C34H49N5O6623.78283300
24630946

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C34H49N5O6/c1-22(2)19-25-21-30(40)37-27(16-8-9-18-35)32(43)38-28(15-4-3-5-17-31(41)42)33(44)39-29(34(45)36-25)20-24-13-10-12-23-11-6-7-14-26(23)24/h6-7,10-14,22,25,27-29H,3-5,8-9,15-21,35H2,1-2H3,(H,36,45)(H,37,40)(H,38,43)(H,39,44)(H,41,42)/t25-,27-,28-,29-/m0/s1
C34H49N5O6623.78283300
81369669

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C34H49N5O6/c1-26-6-3-7-29(37-26)23-39-17-4-8-31(40)36-25-34(15-21-43-2,33(42)38-28-13-19-44-20-14-28)22-27-9-11-30(12-10-27)45-24-32(41)35-16-5-18-39/h3,6-7,9-12,28H,4-5,8,13-25H2,1-2H3,(H,35,41)(H,36,40)(H,38,42)
C34H49N5O6623.78283200
4477733

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26?,27?,29?,30-/m0/s1
C34H49N5O6623.78282200
9867742

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C34H49N5O6/c1-33(2,3)24(17-45-6)37-32(44)38-26(21-14-19-9-7-8-10-20(19)15-21)31(43)39-16-22-25(34(22,4)5)27(39)30(42)36-23(13-18-11-12-18)28(40)29(35)41/h7-10,18,21-27H,11-17H2,1-6H3,(H2,35,41)(H,36,42)(H2,37,38,44)/t22-,23?,24+,25-,26-,27-/m0/s1
C34H49N5O6623.78282100
80818352

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C34H49N5O6/c1-25-22-26(24-35-23-25)30(40)36(5)18-12-15-28-32(42)37(6)17-10-11-19-39(33(43)45-34(2,3)4)20-13-21-44-29-16-9-8-14-27(29)31(41)38(28)7/h8-9,14,16,22-24,28H,10-13,15,17-21H2,1-7H3/t28-/m0/s1
C34H49N5O6623.78282200
123

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