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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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Isotopically Labeled
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Found 30 results

Search term: C42H83NO5 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28424248

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,38-41,44-47H,3-26,28,30-37H2,1-2H3,(H,43,48)/b29-27+/t38-,39+,40+,41-/m0/s1
C42H83NO5682.1121201700
9767546

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-41(47)42(48)43-39(37-44)40(46)36-35-38(45)33-31-29-27-25-14-12-10-8-6-4-2/h35-36,38-41,44-47H,3-34,37H2,1-2H3,(H,43,48)/b36-35+/t38-,39+,40-,41-/m1/s1
C42H83NO5682.11216600
26628962

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h12,14,38-41,44-47H,3-11,13,15-37H2,1-2H3,(H,43,48)/b14-12+/t38-,39+,40+,41-/m0/s1
C42H83NO5682.11215500
9939832

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h25,27,38-41,44-47H,3-24,26,28-37H2,1-2H3,(H,43,48)/b27-25+/t38-,39+,40+,41-/m0/s1
C42H83NO5682.11214300
2288905
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44H,3-40H2,1-2H3
C42H83NO5682.1121199999973300
44210738

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-39(45)41(47)38(37-44)43-42(48)40(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,38-41,44-47H,3-17,19-20,22-37H2,1-2H3,(H,43,48)/b21-18-/t38-,39+,40+,41-/m0/s1
C42H83NO5682.11213300
82964117

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,38-41,44-47H,3-26,28,30-37H2,1-2H3,(H,43,48)/b29-27+/t38-,39+,40+,41-/m1/s1
C42H83NO5682.11212100
9673284

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-39(45)41(47)38(37-44)43-42(48)40(46)36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h9,11,38-41,44-47H,3-8,10,12-37H2,1-2H3,(H,43,48)/b11-9+/t38-,39+,40+,41-/m0/s1
C42H83NO5682.11212100
9760373

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-41(47)42(48)43-39(37-44)40(46)36-35-38(45)33-31-29-27-25-14-12-10-8-6-4-2/h35-36,38-41,44-47H,3-34,37H2,1-2H3,(H,43,48)/b36-35+/t38-,39+,40-,41+/m1/s1
C42H83NO5682.11212100
10475624

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h31,33,38-41,44-47H,3-30,32,34-37H2,1-2H3,(H,43,48)/b33-31+/t38-,39-,40+,41+/m1/s1
C42H83NO5682.11212200
29213179

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C42H83NO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-35-40(46)42(48)43-38(36-44)41(47)39(45)34-31-28-25-23-20-21-24-27-30-33-37(3)5-2/h29,32,37-41,44-47H,4-28,30-31,33-36H2,1-3H3,(H,43,48)/b32-29+/t37?,38-,39+,40+,41-/m0/s1
C42H83NO5682.11212200
29213183

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-35-40(46)42(48)43-38(36-44)41(47)39(45)34-31-28-25-22-20-19-21-24-27-30-33-37(2)3/h29,32,37-41,44-47H,4-28,30-31,33-36H2,1-3H3,(H,43,48)/b32-29+/t38-,39+,40+,41-/m0/s1
C42H83NO5682.11212200
129151923
InChI=1/C42H83NO5/c1-4-7-10-13-16-22-30-39-47-41(45)33-26-20-17-21-28-35-43(37-38-44)36-29-23-27-34-42(46)48-40(31-24-18-14-11-8-5-2)32-25-19-15-12-9-6-3/h40,44H,4-39H2,1-3H3
C42H83NO5682.11212200
129152004
InChI=1/C42H83NO5/c1-4-7-10-13-17-24-31-40(32-25-18-14-11-8-5-2)48-42(46)34-27-20-16-22-29-36-43(37-38-44)35-28-21-15-19-26-33-41(45)47-39-30-23-12-9-6-3/h40,44H,4-39H2,1-3H3
C42H83NO5682.11212200
129153796
InChI=1/C42H83NO5/c1-4-7-10-13-16-22-30-39-47-41(45)33-27-23-29-36-43(37-38-44)35-28-21-17-20-26-34-42(46)48-40(31-24-18-14-11-8-5-2)32-25-19-15-12-9-6-3/h40,44H,4-39H2,1-3H3
C42H83NO5682.11212200
129156520
InChI=1/C42H83NO5/c1-4-7-10-13-16-17-18-21-30-39-47-41(45)33-26-22-28-35-43(37-38-44)36-29-23-27-34-42(46)48-40(31-24-19-14-11-8-5-2)32-25-20-15-12-9-6-3/h40,44H,4-39H2,1-3H3
C42H83NO5682.11212200
129161369
InChI=1/C42H83NO5/c1-4-7-10-13-16-23-30-39-47-41(45)33-26-19-21-28-35-43(37-38-44)36-29-22-20-27-34-42(46)48-40(31-24-17-14-11-8-5-2)32-25-18-15-12-9-6-3/h40,44H,4-39H2,1-3H3
C42H83NO5682.11212200
129170143
InChI=1/C42H83NO5/c1-4-7-10-13-16-21-29-39-47-41(45)33-26-22-28-36-43(37-30-38-44)35-27-20-19-25-34-42(46)48-40(31-23-17-14-11-8-5-2)32-24-18-15-12-9-6-3/h40,44H,4-39H2,1-3H3
C42H83NO5682.11212200
113381231

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-41(47)42(48)43-39(37-44)40(46)36-35-38(45)33-31-29-27-25-14-12-10-8-6-4-2/h35-36,38-41,44-47H,3-34,37H2,1-2H3,(H,43,48)/b36-35+/t38-,39+,40-,41?/m1/s1
C42H83NO5682.11211100
113381292

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-39(45)41(47)38(37-44)43-42(48)40(46)36-34-32-30-28-25-16-14-12-10-8-6-4-2/h11,13,38-41,44-47H,3-10,12,14-37H2,1-2H3,(H,43,48)/b13-11+/t38-,39+,40+,41-/m0/s1
C42H83NO5682.11211100
12

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