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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 17 results

Search term: C42H81NO3 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446681

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17-,37-35+/t40-,41+/m0/s1
C42H81NO3648.09744333800
31046978

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17+,37-35+
C42H81NO3648.09747500
35467121

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17+,37-35+/t40-,41+/m0/s1
C42H81NO3648.09745300
21926640

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17-,37-35+
C42H81NO3648.09742100
28718753

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h23-24,35,37,40-41,44-45H,3-22,25-34,36,38-39H2,1-2H3,(H,43,46)
C42H81NO3648.09742100
95750607

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h23-24,35,37,40-41,44-45H,3-22,25-34,36,38-39H2,1-2H3,(H,43,46)/b24-23+,37-35u
C42H81NO3648.09742300
2623097

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)
C42H81NO3648.09742100
98645409

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,35,37,40-41,44-45H,3-26,28,30-34,36,38-39H2,1-2H3,(H,43,46)/b29-27-,37-35+/t40-,41+/m0/s1
C42H81NO3648.09741100
107445489

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17-,37-35+/t40-,41?/m1/s1
C42H81NO3648.09741100
113381217

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h8,10,35,37,40-41,44-45H,3-7,9,11-34,36,38-39H2,1-2H3,(H,43,46)/b10-8-,37-35+/t40-,41+/m0/s1
C42H81NO3648.09741100
123960359

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,35,37,40-41,44-45H,3-26,28,30-34,36,38-39H2,1-2H3,(H,43,46)/b29-27+,37-35u
C42H81NO3648.09741100
29787578

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35-38,40-41,44-45H,3-34,39H2,1-2H3,(H,43,46)/b37-35+,38-36-
C42H81NO3648.09741100
26324071

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17-,37-35+/t40?,41-/m1/s1
C42H81NO3648.09741100
57519102

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h23-24,35,37,40-41,44-45H,3-22,25-34,36,38-39H2,1-2H3,(H,43,46)/b24-23+,37-35+
C42H81NO3648.09741100
75320559

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,28,30,40-41,44-45H,3-16,18,20-27,29,31-39H2,1-2H3,(H,43,46)/b19-17-,30-28-/t40-,41+/m0/s1
C42H81NO3648.09741100
95750606

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h23-24,35,37,40-41,44-45H,3-22,25-34,36,38-39H2,1-2H3,(H,43,46)/b24-23-,37-35+
C42H81NO3648.09741100

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