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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 9 results

Search term: C45H89N2O6P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29368329

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H89N2O6P/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/h20-21,36,38,43-44,48H,6-19,22-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b21-20-,38-36+/t43-,44+/m0/s1
C45H89N2O6P785.17178900
113381535

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H89N2O6P/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/h19-20,36,38,43-44,48H,6-18,21-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b20-19-,38-36+/t43-,44+/m0/s1
C45H89N2O6P785.17172200
113381550

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H89N2O6P/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/h11,13,36,38,43-44,48H,6-10,12,14-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b13-11-,38-36+/t43-,44+/m0/s1
C45H89N2O6P785.17172200
24608392

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H89N2O6P/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/h33,35-36,38,43-44,48H,6-32,34,37,39-42H2,1-5H3,(H-,46,49,50,51)/b35-33-,38-36+/t43-,44+/m1/s1
C45H89N2O6P785.171711200
24608398

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H89N2O6P/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/h28,30,36,38,43-44,48H,6-27,29,31-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b30-28+,38-36+/t43-,44+/m1/s1
C45H89N2O6P785.171711200
59696524

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H89N2O6P/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/h20-21,36,38,43-44,48H,6-19,22-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b21-20+,38-36+/t43-,44+/m0/s1
C45H89N2O6P785.17171100
71044196

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H89N2O6P/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/h33,35-36,38,43-44,48H,6-32,34,37,39-42H2,1-5H3,(H-,46,49,50,51)/b35-33-,38-36+/t43?,44-/m0/s1
C45H89N2O6P785.17171600
71044202

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H89N2O6P/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/h28,30,36,38,43-44,48H,6-27,29,31-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b30-28+,38-36+/t43?,44-/m1/s1
C45H89N2O6P785.17171600
75320552

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H89N2O6P/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/h15,17,26,28,43-44,48H,6-14,16,18-25,27,29-42H2,1-5H3,(H-,46,49,50,51)/b17-15+,28-26+/t43-,44+/m0/s1
C45H89N2O6P785.17171100

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