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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 45 results

Search term: C36H48N2O10 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390325

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1
C36H48N2O10668.77379700
390347

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1
C36H48N2O10668.77378700
67970714

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C36H48N2O10/c1-23-9-8-12-26(39)11-7-5-6-10-24-19-28(40)33(34(42)32(24)36(43)48-23)27(22-31(41)37-13-14-38-15-17-47-18-16-38)25-20-29(44-2)35(46-4)30(21-25)45-3/h6,10,19-21,23,27,40,42H,5,7-9,11-18,22H2,1-4H3,(H,37,41)/b10-6+/t23-,27?/m0/s1
C36H48N2O10668.77376600
79723859

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C36H48N2O10/c1-7-20(2)32(35(37)43)38-29(41)19-25(23-17-27(45-4)34(47-6)28(18-23)46-5)31-26(40)16-22-13-9-8-10-14-24(39)15-11-12-21(3)48-36(44)30(22)33(31)42/h9,13,16-18,20-21,25,32,40,42H,7-8,10-12,14-15,19H2,1-6H3,(H2,37,43)(H,38,41)/b13-9+/t20-,21-,25?,32-/m0/s1
C36H48N2O10668.77375600
21825666

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21?,23+,24+,27?,28+,29?,30+,32?,33+,34-,35+,36-/m1/s1
C36H48N2O10668.77374200
2331237

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C36H48N2O10/c1-8-38-18-33(48-32(42)22-11-9-10-12-25(22)37-19(2)39)14-13-29(44-6)35-27(33)16-24(30(35)38)34(46-20(3)40)17-26(43-5)23-15-28(35)36(34,31(23)45-7)47-21(4)41/h9-12,23-24,26-31H,8,13-18H2,1-7H3,(H,37,39)
C36H48N2O10668.7737199999983100
2672198

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3
C36H48N2O10668.7737199999983600
3679725

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3
C36H48N2O10668.7737199999983500
10276117

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1
C36H48N2O10668.77373300
25030983

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H48N2O10/c1-26(47-24-23-32(35(44)45)38-27(2)39)17-13-12-15-19-28(40)18-14-10-8-6-4-3-5-7-9-11-16-20-29-25-33(41)30(36(46)48-29)21-22-31(37)34(42)43/h3-14,16,20,25-26,28,31-32,40-41H,15,17-19,21-24,37H2,1-2H3,(H,38,39)(H,42,43)(H,44,45)/b4-3+,7-5+,8-6+,11-9+,13-12+,14-10+,20-16+/t26-,28+,31+,32+/m1/s1
C36H48N2O10668.77373300
52085731

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1
C36H48N2O10668.77373300
58914143

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C36H48N2O10/c1-21-25-13-11-23(9-7-15-35(3)29(47-35)27(25)45-31(21)39)19-43-33(41)37-17-5-6-18-38-34(42)44-20-24-10-8-16-36(4)30(48-36)28-26(14-12-24)22(2)32(40)46-28/h9-10,25-30H,1-2,5-8,11-20H2,3-4H3,(H,37,41)(H,38,42)/b23-9+,24-10+/t25-,26-,27-,28-,29-,30-,35+,36+/m0/s1
C36H48N2O10668.77372200
31117662

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C36H48N2O10/c1-8-38-18-33(48-32(42)22-11-9-10-12-25(22)37-19(2)39)14-13-29(44-6)35-27(33)16-24(30(35)38)34(46-20(3)40)17-26(43-5)23-15-28(35)36(34,31(23)45-7)47-21(4)41/h9-12,23-24,26-31H,8,13-18H2,1-7H3,(H,37,39)/t23-,24-,26+,27-,28+,29+,30?,31+,33-,34+,35+,36+/m1/s1
C36H48N2O10668.77372200
32701053

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35?,36?/m1/s1
C36H48N2O10668.77372200
23327302

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18?,20-,21-,23+,24+,26-,27+,28-,29+,32?,33+,34-,35+,36-/m1/s1
C36H48N2O10668.77372200
24710869

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36-/m0/s1
C36H48N2O10668.77372200
4012

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C36H48N2O10/c1-7-37-17-33(48-31(41)19-10-8-9-11-22(19)38-25(39)14-18(2)30(38)40)13-12-24(45-4)35-21-15-20-23(44-3)16-34(42,26(21)27(20)46-5)36(43,32(35)37)29(47-6)28(33)35/h8-11,18,20-21,23-24,26-29,32,42-43H,7,12-17H2,1-6H3
C36H48N2O10668.77372100
140296

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20-,21-,23-,24-,26+,27-,28+,29-,32?,33-,34+,35?,36?/m0/s1
C36H48N2O10668.77372100
141859

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20?,21?,23-,24-,27+,28-,29+,30-,32?,33-,34+,35?,36?/m0/s1
C36H48N2O10668.77372100
123

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