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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 14 results

Search term: C41H81NO3 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24765757

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)/b36-34+/t39-,40+/m0/s1
C41H81NO3636.0867111100
4479073

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)
C41H81NO3636.08674400
29368206

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)/b36-34+/t39-,40+/m0/s1
C41H81NO3636.08674500
58170160

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C41H81NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-33-36-41(45)42-39(37-43)40(44)35-32-29-26-24-23-25-28-31-34-38(3)5-2/h32,35,38-40,43-44H,4-31,33-34,36-37H2,1-3H3,(H,42,45)/b35-32+/t38?,39-,40+/m0/s1
C41H81NO3636.08673400
28639051

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H81NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-36-41(45)42-39(37-43)40(44)35-32-29-26-23-21-22-25-28-31-34-38(2)3/h32,35,38-40,43-44H,4-31,33-34,36-37H2,1-3H3,(H,42,45)/b35-32+/t39-,40+/m0/s1
C41H81NO3636.08673400
542734
InChI=1/C41H81NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-42(40(43)36-35-37-41(44)45)39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H,44,45)
C41H81NO3636.08673400
29212866

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H81NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-30-33-36-41(45)42-39(37-43)40(44)35-32-29-26-23-20-18-17-19-22-25-28-31-34-38(2)3/h32,35,38-40,43-44H,4-31,33-34,36-37H2,1-3H3,(H,42,45)/b35-32+/t39-,40+/m0/s1
C41H81NO3636.08672200
10474226

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H81NO3/c1-37(2)32-28-24-20-16-12-10-8-6-5-7-9-11-13-19-23-27-31-35-41(45)42-39(36-43)40(44)34-30-26-22-18-15-14-17-21-25-29-33-38(3)4/h30,34,37-40,43-44H,5-29,31-33,35-36H2,1-4H3,(H,42,45)/b34-30+/t39-,40+/m0/s1
C41H81NO3636.08672200
10474227

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C41H81NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-36-41(45)42-39(37-43)40(44)35-32-29-26-23-21-20-22-25-28-31-34-38(3)5-2/h32,35,38-40,43-44H,4-31,33-34,36-37H2,1-3H3,(H,42,45)/b35-32+/t38?,39-,40+/m0/s1
C41H81NO3636.08672200
27024509

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C41H81NO3/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-25-27-32-36-41(45)42-39(37-43)40(44)35-31-28-30-34-38(3)33-29-26-24-11-9-7-5-2/h31,35,38-40,43-44H,4-30,32-34,36-37H2,1-3H3,(H,42,45)/b35-31+
C41H81NO3636.08672200
28591698

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)/b36-34+
C41H81NO3636.08672100
75320558

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,39-40,43-44H,3-16,19-38H2,1-2H3,(H,42,45)/b18-17-/t39-,40+/m0/s1
C41H81NO3636.08671100
95601490

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)/t39-,40+/m0/s1
C41H81NO3636.08671100
123960350

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)
C41H81NO3636.08671100

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