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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 28 results

Search term: C44H80NO10P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34449015

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,40-41H,3-10,12,14-16,18,20-21,23,25-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,24-22-/t40-,41+/m1/s1
C44H80NO10P814.080591000
35032509

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,40-41H,3-10,12,14-16,18,20-21,24-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,23-22-/t40-,41+/m1/s1
C44H80NO10P814.08059900
74875810

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,40-41H,3-10,12,15,19-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,16-14-,18-17-/t40-,41+/m1/s1
C44H80NO10P814.08054400
74876208

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,40-41H,3-10,12,15,19-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,16-14-,18-17-/t40-,41+/m1/s1
C44H80NO10P814.08054400
74875856

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21,40-41H,3-10,12,14-16,20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,21-18-/t40-,41+/m1/s1
C44H80NO10P814.08054400
74875873

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,40-41H,3-11,13,15-16,20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b14-12-,19-17-,21-18-/t40-,41+/m1/s1
C44H80NO10P814.08054400
74875897

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,25,27,40-41H,3-11,13,15-17,19-20,22-24,26,28-39,45H2,1-2H3,(H,48,49)(H,50,51)/b14-12-,21-18-,27-25-/t40-,41+/m1/s1
C44H80NO10P814.08054400
74875914

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,40-41H,3-5,7,9-11,13,15-17,19-20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,14-12-,21-18-/t40-,41+/m1/s1
C44H80NO10P814.08054400
74875963

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,26,28,40-41H,3-11,13,15-17,19-20,22-25,27,29-39,45H2,1-2H3,(H,48,49)(H,50,51)/b14-12-,21-18-,28-26-/t40-,41+/m1/s1
C44H80NO10P814.08054400
74875964

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,40-41H,3-5,7,9-11,13,15-17,19-20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,14-12-,21-18-/t40-,41+/m1/s1
C44H80NO10P814.08054400
74875991

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,40-41H,3-11,13,15-16,20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b14-12-,19-17-,21-18-/t40-,41+/m1/s1
C44H80NO10P814.08054400
74876017

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21,40-41H,3-10,12,14-16,20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,21-18-/t40-,41+/m1/s1
C44H80NO10P814.08054400
74876041

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17,19,22-23,27,29,40-41H,3-16,18,20-21,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b19-17-,23-22-,29-27-/t40-,41+/m1/s1
C44H80NO10P814.08053300
74876016

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,40-41H,3-10,12,15,18,20-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,16-14-,19-17-/t40-,41+/m1/s1
C44H80NO10P814.08053300
74875821

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,40-41H,3-16,18,20-21,23,25-27,29,31-39,45H2,1-2H3,(H,48,49)(H,50,51)/b19-17-,24-22-,30-28-/t40-,41+/m1/s1
C44H80NO10P814.08053300
74875837

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,40-41H,3-10,12,15,18,20-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,16-14-,19-17-/t40-,41+/m1/s1
C44H80NO10P814.08053300
128425876

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C44H80NO10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-22-26-33-52-36-39(37-54-56(50,51)53-34-32-45(3,4)5)55-44(49)29-25-21-20-24-28-40-41(43(48)35-42(40)47)31-30-38(46)27-23-9-7-2/h20,24,26,30-31,33,38-41,43,46,48H,6-19,21-23,25,27-29,32,34-37H2,1-5H3/b24-20-,31-30+,33-26u/t38-,39+,40+,41+,43+/m0/s1
C44H80NO10P814.08051100
128425877

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C44H80NO10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-22-26-33-52-39(37-55-56(50,51)54-34-32-45(3,4)5)36-53-44(49)29-25-21-20-24-28-40-41(43(48)35-42(40)47)31-30-38(46)27-23-9-7-2/h20,24,26,30-31,33,38-41,43,46,48H,6-19,21-23,25,27-29,32,34-37H2,1-5H3/b24-20-,31-30+,33-26u/t38-,39+,40+,41+,43+/m0/s1
C44H80NO10P814.08051100
128425878

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C44H80NO10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-22-26-33-52-36-39(37-54-56(50,51)53-34-32-45(3,4)5)55-44(49)29-25-21-20-24-28-40-41(43(48)35-42(40)47)31-30-38(46)27-23-9-7-2/h20,24,26,30-31,33,38-42,46-47H,6-19,21-23,25,27-29,32,34-37H2,1-5H3/b24-20-,31-30+,33-26u/t38-,39+,40+,41+,42-/m0/s1
C44H80NO10P814.08051100
128425879

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C44H80NO10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-22-26-33-52-39(37-55-56(50,51)54-34-32-45(3,4)5)36-53-44(49)29-25-21-20-24-28-40-41(43(48)35-42(40)47)31-30-38(46)27-23-9-7-2/h20,24,26,30-31,33,38-42,46-47H,6-19,21-23,25,27-29,32,34-37H2,1-5H3/b24-20-,31-30+,33-26u/t38-,39+,40+,41+,42-/m0/s1
C44H80NO10P814.08051100
12

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