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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 13 results

Search term: C41H81NO4 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
75914
InChI=1/C41H81NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-38-36-42(3)37-39-46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-39H2,1-3H3
C41H81NO4652.0861161600
8569945

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C41H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-40(44)42-39(38-43)41(45)46-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h39,43H,3-38H2,1-2H3,(H,42,44)/t39-/m0/s1
C41H81NO4652.08614310
62875083

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C41H81NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38-39(37-42(3)4)46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39H,5-38H2,1-4H3
C41H81NO4652.08614400
8637352

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C41H81NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-40(43)36-35-39(42)41(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3/t39-/m0/s1
C41H81NO4652.08613200
28639054

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C41H81NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-35-40(45)41(46)42-38(36-43)39(44)34-31-28-25-23-20-21-24-27-30-33-37(2)3/h31,34,37-40,43-45H,4-30,32-33,35-36H2,1-3H3,(H,42,46)/b34-31+/t38-,39+,40?/m0/s1
C41H81NO4652.08613400
7985496

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C41H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(45)42-38(37-43)41(46)39(44)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,38-39,41,43-44,46H,3-16,19-37H2,1-2H3,(H,42,45)/b18-17+
C41H81NO4652.08612100
8253561

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C41H81NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-40(43)36-35-39(42)41(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3
C41H81NO4652.08612100
9203875

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C41H81NO4/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(44)42-41(6-3,37-43)38-46-40(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h43H,4-38H2,1-3H3,(H,42,44)
C41H81NO4652.08612100
10472639

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C41H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(45)42-38(37-43)41(46)39(44)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38,41,43,46H,3-37H2,1-2H3,(H,42,45)
C41H81NO4652.08612200
95796737

Double-bond stereo
InChI=1/C41H81NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-38-36-42(3)37-39-46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-35,43-44H,4-33,36-39H2,1-3H3
C41H81NO4652.08611100
113381191

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C41H81NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-41(46)42-39(37-43)40(45)36-35-38(44)33-31-29-27-25-14-12-10-8-6-4-2/h35-36,38-40,43-45H,3-34,37H2,1-2H3,(H,42,46)/b36-35+/t38-,39+,40-/m1/s1
C41H81NO4652.08611100
113381208

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C41H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(45)41(46)42-38(37-43)39(44)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-40,43-45H,3-32,34,36-37H2,1-2H3,(H,42,46)/b35-33+/t38-,39+,40?/m0/s1
C41H81NO4652.08611100
113381260

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C41H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-38(44)36-41(46)42-39(37-43)40(45)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h33,35,38-40,43-45H,3-32,34,36-37H2,1-2H3,(H,42,46)/b35-33+/t38-,39+,40-/m1/s1
C41H81NO4652.08611100

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