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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 10 results

Search term: C45H91N2O6P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24846873

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h36,38,43-44,48H,6-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b38-36+/t43-,44+/m0/s1
C45H91N2O6P787.1876202000
35032399

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,43-44,48H,6-19,22-42H2,1-5H3,(H-,46,49,50,51)/b21-20-/t43-,44+/m0/s1
C45H91N2O6P787.18764400
58167888

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C45H91N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-32-35-38-45(49)46-43(41-53-54(50,51)52-40-39-47(4,5)6)44(48)37-34-31-28-26-25-27-30-33-36-42(3)8-2/h34,37,42-44,48H,7-33,35-36,38-41H2,1-6H3,(H-,46,49,50,51)/b37-34+/t42?,43-,44+/m0/s1
C45H91N2O6P787.18763400
28533366

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H91N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32-35-38-45(49)46-43(41-53-54(50,51)52-40-39-47(4,5)6)44(48)37-34-31-28-25-23-24-27-30-33-36-42(2)3/h34,37,42-44,48H,7-33,35-36,38-41H2,1-6H3,(H-,46,49,50,51)/b37-34+/t43-,44+/m0/s1
C45H91N2O6P787.18763400
24608391

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h36,38,43-44,48H,6-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b38-36+/t43-,44+/m1/s1
C45H91N2O6P787.187612400
59696520

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,43-44,48H,6-19,22-42H2,1-5H3,(H-,46,49,50,51)/b21-20+/t43-,44+/m0/s1
C45H91N2O6P787.18761100
71044195

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h36,38,43-44,48H,6-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b38-36+/t43?,44-/m1/s1
C45H91N2O6P787.187611200
75320551

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h17,19,43-44,48H,6-16,18,20-42H2,1-5H3,(H-,46,49,50,51)/b19-17+/t43-,44+/m0/s1
C45H91N2O6P787.18761100
113381536

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H91N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h36,38,43-44,48H,6-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b38-36+/t43-,44+/m0/s1
C45H91N2O6P787.18761100
128913065

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h36,38,43-44,48H,6-35,37,39-42H2,1-5H3,(H-,46,49,50,51)
C45H91N2O6P787.18761100

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