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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: C47H95N2O6P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24846875

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b40-38+/t45-,46+/m0/s1
C47H95N2O6P815.240891000
24846881

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,45-46,50H,6-19,22-44H2,1-5H3,(H-,48,51,52,53)/b21-20-/t45-,46+/m0/s1
C47H95N2O6P815.240891100
28533374

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C47H95N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34-37-40-47(51)48-45(43-55-56(52,53)54-42-41-49(4,5)6)46(50)39-36-33-30-27-25-26-29-32-35-38-44(2)3/h36,39,44-46,50H,7-35,37-38,40-43H2,1-6H3,(H-,48,51,52,53)/b39-36+/t45-,46+/m0/s1
C47H95N2O6P815.24083400
58168494

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C47H95N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-34-37-40-47(51)48-45(43-55-56(52,53)54-42-41-49(4,5)6)46(50)39-36-33-30-28-27-29-32-35-38-44(3)8-2/h36,39,44-46,50H,7-35,37-38,40-43H2,1-6H3,(H-,48,51,52,53)/b39-36+/t44?,45-,46+/m0/s1
C47H95N2O6P815.24083400
115040360

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)
C47H95N2O6P815.24083300
24608384

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h35,37,45-46,50H,6-34,36,38-44H2,1-5H3,(H-,48,51,52,53)/b37-35-/t45-,46+/m1/s1
C47H95N2O6P815.240811200
24608395

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b40-38+/t45-,46+/m1/s1
C47H95N2O6P815.24081800
59696521

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,45-46,50H,6-19,22-44H2,1-5H3,(H-,48,51,52,53)/b21-20+/t45-,46+/m0/s1
C47H95N2O6P815.24081100
71044188

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h35,37,45-46,50H,6-34,36,38-44H2,1-5H3,(H-,48,51,52,53)/b37-35-/t45?,46-/m0/s1
C47H95N2O6P815.24081600
71044199

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b40-38+/t45?,46-/m1/s1
C47H95N2O6P815.24081400
75319907

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,45-46,50H,6-19,22-44H2,1-5H3,(H-,48,51,52,53)/b21-20-/t45?,46-/m1/s1
C47H95N2O6P815.24081200
75320555

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h17,19,45-46,50H,6-16,18,20-44H2,1-5H3,(H-,48,51,52,53)/b19-17+/t45-,46+/m0/s1
C47H95N2O6P815.24081100

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