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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 19 results

Search term: C42H85NO5 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8387530

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H85NO5/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/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
C42H85NO5684.128292500
29365035

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C42H85NO5/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/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)
C42H85NO5684.1289400
58837720

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H85NO5/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/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40-,41-/m0/s1
C42H85NO5684.1289800
26330577

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C42H85NO5/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/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40?,41-/m0/s1
C42H85NO5684.1284500
28533078

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C42H85NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40?,41-/m0/s1
C42H85NO5684.1284500
4476653

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C42H85NO5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40?,41?/m0/s1
C42H85NO5684.1284400
28591689

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(46)43-38(37-44)41(47)42(48)39(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38-39,41-42,44-45,47-48H,3-37H2,1-2H3,(H,43,46)
C42H85NO5684.1283200
30785618

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C42H85NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-32-35-40(46)42(48)43-38(36-44)41(47)39(45)34-31-28-25-23-22-24-27-30-33-37(2)3/h37-41,44-47H,4-36H2,1-3H3,(H,43,48)/t38-,39+,40?,41-/m0/s1
C42H85NO5684.1283400
65328932

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H85NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-35-40(46)42(48)43-38(36-44)41(47)39(45)34-31-28-25-22-20-17-18-21-24-27-30-33-37(2)3/h37-41,44-47H,4-36H2,1-3H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
C42H85NO5684.1282200
82964153

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H85NO5/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/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40+,41-/m1/s1
C42H85NO5684.1282100
27024453

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H85NO5/c1-4-5-6-7-8-9-10-11-12-13-16-20-23-26-29-32-35-40(46)42(48)43-38(36-44)41(47)39(45)34-31-28-25-22-19-17-14-15-18-21-24-27-30-33-37(2)3/h37-41,44-47H,4-36H2,1-3H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
C42H85NO5684.1282200
9529391

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C42H85NO5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-39(45)42(48)41(47)38(37-44)43-40(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h38-39,41-42,44-45,47-48H,3-37H2,1-2H3,(H,43,46)
C42H85NO5684.1282100
9620208

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H85NO5/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-40(47-5)42(44)43-38(37-45-3)41(48-6)39(46-4)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2/h38-41H,7-37H2,1-6H3,(H,43,44)/t38-,39+,40+,41-/m0/s1
C42H85NO5684.1282100
10478467

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C42H85NO5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-32-39(46)34-30-36-42(48)43-40(37-44)41(47)35-29-33-38(45)31-27-25-23-21-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)
C42H85NO5684.1282200
17245135

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H85NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(45)41(47)38(37-44)43-42(48)40(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
C42H85NO5684.1282200
23106996

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C42H85NO5/c1-2-3-4-5-6-7-8-20-23-26-29-32-35-40(46)42(48)39(38-45)43-41(47)36-33-30-27-24-21-18-16-14-12-10-9-11-13-15-17-19-22-25-28-31-34-37-44/h39-40,42,44-46,48H,2-38H2,1H3,(H,43,47)/t39-,40+,42-/m0/s1
C42H85NO5684.1282200
115267328

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H85NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-29-31-33-35-39(45)41(47)38(37-44)43-42(48)40(46)36-34-32-30-27-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
C42H85NO5684.1281100
58196898

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
C42H85NO5684.1281100
30779184

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-20-22-25-29-33-38(45)34-30-26-24-28-32-36-41(47)43-39(37-44)42(48)40(46)35-31-27-23-21-19-16-14-12-10-8-6-4-2/h38-40,42,44-46,48H,3-37H2,1-2H3,(H,43,47)/t38-,39+,40-,42+/m1/s1
C42H85NO5684.1281100

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