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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 33 results

Search term: C41H48N2O8 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20178

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1
C41H48N2O8696.8284363700
530199

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3
C41H48N2O8696.8284234500
140061

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H48N2O8/c1-42-16-14-24-19-32(44-3)33(45-4)21-27(24)30(42)18-23-10-12-25(13-11-23)51-38-29-20-31-35-26(15-17-43(31)2)37(47-6)41(50-9)40(49-8)36(35)28(29)22-34(46-5)39(38)48-7/h10-13,19,21-22,30-31H,14-18,20H2,1-9H3/t30-,31-/m0/s1
C41H48N2O8696.82847600
3568753

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C41H48N2O8/c1-42-14-12-23-18-32(45-4)33(46-5)21-27(23)29(42)16-25-10-11-31(44-3)41(50-9)39(25)51-35-20-26-17-30-37-24(13-15-43(30)2)19-36(48-7)40(49-8)38(37)28(26)22-34(35)47-6/h10-11,18-22,29-30H,12-17H2,1-9H3
C41H48N2O8696.8284199999986700
3533778

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C41H48N2O8/c1-42-16-14-24-19-32(44-3)33(45-4)21-27(24)30(42)18-23-10-12-25(13-11-23)51-38-29-20-31-35-26(15-17-43(31)2)37(47-6)41(50-9)40(49-8)36(35)28(29)22-34(46-5)39(38)48-7/h10-13,19,21-22,30-31H,14-18,20H2,1-9H3
C41H48N2O8696.8284199999985400
5145026

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30+/m0/s1
C41H48N2O8696.82843200
5147536

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C41H48N2O8/c1-43(32(38(45)42-19-20-44)21-25-7-3-2-4-8-25)39(46)28-23-35(37-36(24-28)50-41(51-37,29-14-15-29)30-16-17-30)49-40(47)31-10-6-5-9-27(31)13-11-26-12-18-33-34(22-26)48-33/h2-11,13,24,26,29-30,32-37,44H,12,14-23H2,1H3,(H,42,45)/t26?,32-,33?,34?,35-,36-,37+/m1/s1
C41H48N2O8696.82842100
9781991

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C41H48N2O8/c1-41(2,3)51-35(44)24-42-40(45)43-39-38(49-28-33-22-14-7-15-23-33)37(48-27-32-20-12-6-13-21-32)36(47-26-31-18-10-5-11-19-31)34(50-39)29-46-25-30-16-8-4-9-17-30/h4-23,34,36-39H,24-29H2,1-3H3,(H2,42,43,45)/t34-,36-,37+,38-,39-/m1/s1
C41H48N2O8696.82842100
2641346

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C41H48N2O8/c1-43(26-37(46)33-11-7-13-35(45)22-33)25-36-23-38(30-18-16-28(27-44)17-19-30)51-41(50-36)34-12-6-10-32(21-34)31-9-5-8-29(20-31)24-42-39(47)14-3-2-4-15-40(48)49/h5-13,16-22,36-38,41,44-46H,2-4,14-15,23-27H2,1H3,(H,42,47)(H,48,49)
C41H48N2O8696.82842100
3245372

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C41H48N2O8/c1-43(26-37(46)32-9-7-10-34(45)22-32)25-35-23-38(30-16-14-28(27-44)15-17-30)51-41(50-35)31-20-18-29(19-21-31)36-11-6-5-8-33(36)24-42-39(47)12-3-2-4-13-40(48)49/h5-11,14-22,35,37-38,41,44-46H,2-4,12-13,23-27H2,1H3,(H,42,47)(H,48,49)
C41H48N2O8696.82842100
3617008

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C41H48N2O8/c1-42-12-10-24-18-31(44-3)32(45-4)21-27(24)29(42)14-23-15-35(47-6)40(49-8)37(16-23)51-34-20-26-17-30-38-25(11-13-43(30)2)19-36(48-7)41(50-9)39(38)28(26)22-33(34)46-5/h15-16,18-22,29-30H,10-14,17H2,1-9H3
C41H48N2O8696.8284199999982100
4185648

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C41H48N2O8/c1-43(26-37(46)34-9-6-10-35(45)22-34)25-36-23-38(31-15-13-28(27-44)14-16-31)51-41(50-36)32-19-17-30(18-20-32)33-8-5-7-29(21-33)24-42-39(47)11-3-2-4-12-40(48)49/h5-10,13-22,36-38,41,44-46H,2-4,11-12,23-27H2,1H3,(H,42,47)(H,48,49)
C41H48N2O8696.8284199999982100
4393990

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C41H48N2O8/c1-43(32(38(45)42-19-20-44)21-25-7-3-2-4-8-25)39(46)28-23-35(37-36(24-28)50-41(51-37,29-14-15-29)30-16-17-30)49-40(47)31-10-6-5-9-27(31)13-11-26-12-18-33-34(22-26)48-33/h2-11,13,24,26,29-30,32-37,44H,12,14-23H2,1H3,(H,42,45)
C41H48N2O8696.8284199999982100
4397274

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C41H48N2O8/c1-43(32(38(45)42-18-19-44)21-25-6-3-2-4-7-25)39(46)29-23-35(37-36(24-29)50-41(51-37,30-13-14-30)31-15-16-31)49-40(47)28-9-5-8-26(20-28)10-11-27-12-17-33-34(22-27)48-33/h2-11,20,24,27,30-37,44H,12-19,21-23H2,1H3,(H,42,45)
C41H48N2O8696.8284199999982100
5107333

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H48N2O8/c1-43(26-37(46)34-9-6-10-35(45)22-34)25-36-23-38(31-15-13-28(27-44)14-16-31)51-41(50-36)32-19-17-30(18-20-32)33-8-5-7-29(21-33)24-42-39(47)11-3-2-4-12-40(48)49/h5-10,13-22,36-38,41,44-46H,2-4,11-12,23-27H2,1H3,(H,42,47)(H,48,49)/t36-,37-,38+,41+/m1/s1
C41H48N2O8696.82842100
5107345

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H48N2O8/c1-43(26-37(46)32-9-7-10-34(45)22-32)25-35-23-38(30-16-14-28(27-44)15-17-30)51-41(50-35)31-20-18-29(19-21-31)36-11-6-5-8-33(36)24-42-39(47)12-3-2-4-13-40(48)49/h5-11,14-22,35,37-38,41,44-46H,2-4,12-13,23-27H2,1H3,(H,42,47)(H,48,49)/t35-,37-,38+,41+/m1/s1
C41H48N2O8696.82842100
5107357

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H48N2O8/c1-43(26-37(46)33-11-7-13-35(45)22-33)25-36-23-38(30-18-16-28(27-44)17-19-30)51-41(50-36)34-12-6-10-32(21-34)31-9-5-8-29(20-31)24-42-39(47)14-3-2-4-15-40(48)49/h5-13,16-22,36-38,41,44-46H,2-4,14-15,23-27H2,1H3,(H,42,47)(H,48,49)/t36-,37-,38+,41+/m1/s1
C41H48N2O8696.82842100
5110933

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H48N2O8/c1-43(26-37(46)34-9-6-10-35(45)22-34)25-36-23-38(31-15-13-28(27-44)14-16-31)51-41(50-36)32-19-17-30(18-20-32)33-8-5-7-29(21-33)24-42-39(47)11-3-2-4-12-40(48)49/h5-10,13-22,36-38,41,44-46H,2-4,11-12,23-27H2,1H3,(H,42,47)(H,48,49)/t36-,37+,38+,41+/m0/s1
C41H48N2O8696.82842100
5110945

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H48N2O8/c1-43(26-37(46)32-9-7-10-34(45)22-32)25-35-23-38(30-16-14-28(27-44)15-17-30)51-41(50-35)31-20-18-29(19-21-31)36-11-6-5-8-33(36)24-42-39(47)12-3-2-4-13-40(48)49/h5-11,14-22,35,37-38,41,44-46H,2-4,12-13,23-27H2,1H3,(H,42,47)(H,48,49)/t35-,37+,38+,41+/m0/s1
C41H48N2O8696.82842100
5110957

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H48N2O8/c1-43(26-37(46)33-11-7-13-35(45)22-33)25-36-23-38(30-18-16-28(27-44)17-19-30)51-41(50-36)34-12-6-10-32(21-34)31-9-5-8-29(20-31)24-42-39(47)14-3-2-4-15-40(48)49/h5-13,16-22,36-38,41,44-46H,2-4,14-15,23-27H2,1H3,(H,42,47)(H,48,49)/t36-,37+,38+,41+/m0/s1
C41H48N2O8696.82842100
12

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