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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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Single/Multi-component
Isotopically Labeled
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Found 12 results

Search term: C44H89N2O6P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34449008

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m0/s1
C44H89N2O6P773.1614500
58168603

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C44H89N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-44(48)45-42(40-52-53(49,50)51-39-38-46(4,5)6)43(47)36-33-30-27-25-24-26-29-32-35-41(3)8-2/h33,36,41-43,47H,7-32,34-35,37-40H2,1-6H3,(H-,45,48,49,50)/b36-33+/t41?,42-,43+/m0/s1
C44H89N2O6P773.1613400
64808543

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m0/s1
C44H89N2O6P773.1613400
98645284

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H89N2O6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(48)46-42(41-52-53(49,50)51-40-39-45)43(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,42-43,47H,3-34,36,38-41,45H2,1-2H3,(H,46,48)(H,49,50)/b37-35+/t42-,43+/m0/s1
C44H89N2O6P773.1613300
113381531

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H89N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m0/s1
C44H89N2O6P773.1612200
28533362

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H89N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-44(48)45-42(40-52-53(49,50)51-39-38-46(4,5)6)43(47)36-33-30-27-24-22-23-26-29-32-35-41(2)3/h33,36,41-43,47H,7-32,34-35,37-40H2,1-6H3,(H-,45,48,49,50)/b36-33+/t42-,43+/m0/s1
C44H89N2O6P773.1612500
24608390

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m1/s1
C44H89N2O6P773.1611800
113381532

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m0/s1
C44H89N2O6P773.1611100
113381533

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m0/s1
C44H89N2O6P773.1611100
123960363

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C44H89N2O6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(48)46-42(41-52-53(49,50)51-40-39-45)43(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,42-43,47H,3-34,36,38-41,45H2,1-2H3,(H,46,48)(H,49,50)
C44H89N2O6P773.1611100
71044194

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42?,43-/m1/s1
C44H89N2O6P773.1611400
75320550

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h17,19,42-43,47H,6-16,18,20-41H2,1-5H3,(H-,45,48,49,50)/b19-17+/t42-,43+/m0/s1
C44H89N2O6P773.1611100

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