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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
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Found 29 results

Search term: C44H82NO10P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
74875795

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h11,13,17-18,40-41H,3-10,12,14-16,19-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,18-17-/t40-,41+/m1/s1
C44H82NO10P816.09634400
74875855

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h17-19,21,40-41H,3-16,20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b19-17-,21-18-/t40-,41+/m1/s1
C44H82NO10P816.09634400
74875872

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h12,14,18,21,40-41H,3-11,13,15-17,19-20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b14-12-,21-18-/t40-,41+/m1/s1
C44H82NO10P816.09634400
74875962

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h12,14,18,21,40-41H,3-11,13,15-17,19-20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b14-12-,21-18-/t40-,41+/m1/s1
C44H82NO10P816.09634400
74875820

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h11,13,17,19,40-41H,3-10,12,14-16,18,20-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-/t40-,41+/m1/s1
C44H82NO10P816.09634400
74875990

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h17-19,21,40-41H,3-16,20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b19-17-,21-18-/t40-,41+/m1/s1
C44H82NO10P816.09634400
74876015

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h11,13,17,19,40-41H,3-10,12,14-16,18,20-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-/t40-,41+/m1/s1
C44H82NO10P816.09634400
74876207

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h11,13,17-18,40-41H,3-10,12,14-16,19-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,18-17-/t40-,41+/m1/s1
C44H82NO10P816.09634400
74876354

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-25-14-12-10-8-6-4-2/h10,12,16-17,40-41H,3-9,11,13-15,18-39,45H2,1-2H3,(H,48,49)(H,50,51)/b12-10-,17-16-/t40-,41+/m1/s1
C44H82NO10P816.09633300
74876183

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h14,16-18,40-41H,3-13,15,19-39,45H2,1-2H3,(H,48,49)(H,50,51)/b16-14-,18-17-/t40-,41+/m1/s1
C44H82NO10P816.09633300
74875836

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h14,16-17,19,40-41H,3-13,15,18,20-39,45H2,1-2H3,(H,48,49)(H,50,51)/b16-14-,19-17-/t40-,41+/m1/s1
C44H82NO10P816.09633300
74875989

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h14,16-17,19,40-41H,3-13,15,18,20-39,45H2,1-2H3,(H,48,49)(H,50,51)/b16-14-,19-17-/t40-,41+/m1/s1
C44H82NO10P816.09633300
74875809

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h14,16-18,40-41H,3-13,15,19-39,45H2,1-2H3,(H,48,49)(H,50,51)/b16-14-,18-17-/t40-,41+/m1/s1
C44H82NO10P816.09633300
74875738

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-14-12-10-8-6-4-2/h10,12,16-17,40-41H,3-9,11,13-15,18-39,45H2,1-2H3,(H,48,49)(H,50,51)/b12-10-,17-16-/t40-,41+/m1/s1
C44H82NO10P816.09633300
29273239

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C44H82NO10P/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/h24,26,30,32,40-41H,3-23,25,27-29,31,33-39,45H2,1-2H3,(H,48,49)(H,50,51)/b26-24-,32-30-
C44H82NO10P816.09631200
29273244

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C44H82NO10P/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/h29-32,40-41H,3-28,33-39,45H2,1-2H3,(H,48,49)(H,50,51)/b31-29-,32-30-
C44H82NO10P816.09631300
113376186

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/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/h14,16,19-20,40-41H,3-13,15,17-18,21-39,45H2,1-2H3,(H,48,49)(H,50,51)/b16-14-,20-19-/t40-,41+/m1/s1
C44H82NO10P816.09631100
113376259

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h10,12,16,18,40-41H,3-9,11,13-15,17,19-39,45H2,1-2H3,(H,48,49)(H,50,51)/b12-10-,18-16-/t40-,41+/m1/s1
C44H82NO10P816.09631100
113376363

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19-22,40-41H,3-18,23-39,45H2,1-2H3,(H,48,49)(H,50,51)/b21-19-,22-20-/t40-,41+/m1/s1
C44H82NO10P816.09631100
113376440

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H82NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h10,12,16,18,40-41H,3-9,11,13-15,17,19-39,45H2,1-2H3,(H,48,49)(H,50,51)/b12-10-,18-16-/t40-,41+/m1/s1
C44H82NO10P816.09631100
12

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