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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 62 results

Search term: C47H82NO8P (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768757

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,28,30,45H,3-10,15-16,21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-/t45-/m1/s1
C47H82NO8P820.12966600
24768855

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,31,33,45H,3-10,15-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1
C47H82NO8P820.12966600
24768695

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,34,36,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,30-28-,36-34-/t45-/m1/s1
C47H82NO8P820.12966600
24769008

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,26,28,32,34,45H,3-10,15-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1
C47H82NO8P820.12966600
24769135

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,27,29,33,35,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,29-27-,35-33-/t45-/m1/s1
C47H82NO8P820.12966600
24769038

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,27,29,45H,3-10,15-16,21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t45-/m1/s1
C47H82NO8P820.12966600
24769070

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,27,29,33,35,45H,3-10,12,14-16,21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,29-27-,35-33-/t45-/m1/s1
C47H82NO8P820.12965500
24769103

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,27,29,45H,3-4,6,8-10,12,14-16,21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,29-27-/t45-/m1/s1
C47H82NO8P820.12965500
24769009

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,45H,3-5,7,9-10,15-16,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-/t45-/m1/s1
C47H82NO8P820.12965500
24768725

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,34,36,45H,3-10,12,14-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1
C47H82NO8P820.12965500
24768726

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,45H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-/t45-/m1/s1
C47H82NO8P820.12965500
24768888

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,45H,3-5,7,9-10,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-/t45-/m1/s1
C47H82NO8P820.12965500
24768920

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,45H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-/t45-/m1/s1
C47H82NO8P820.12965500
24768977

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,26,28,32,34,45H,3-5,7,9-11,13,15-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-/m1/s1
C47H82NO8P820.12965500
74850796

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H82NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3)4)43-53-46(49)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h7,9,13,15,19,21,23-24,28,30,34,36,45H,5-6,8,10-12,14,16-18,20,22,25-27,29,31-33,35,37-44H2,1-4H3,(H,51,52)/b9-7-,15-13-,21-19-,24-23-,30-28-,36-34-
C47H82NO8P820.12963300
74850821

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H82NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3)4)43-53-46(49)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h13,15-16,18-19,21,23-24,28,30,34,36,45H,5-12,14,17,20,22,25-27,29,31-33,35,37-44H2,1-4H3,(H,51,52)/b15-13-,18-16-,21-19-,24-23-,30-28-,36-34-
C47H82NO8P820.12963300
74850822

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H82NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3)4)43-53-46(49)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h7,9,13,15-16,18-19,21,23-24,28,30,45H,5-6,8,10-12,14,17,20,22,25-27,29,31-44H2,1-4H3,(H,51,52)/b9-7-,15-13-,18-16-,21-19-,24-23-,30-28-
C47H82NO8P820.12963300
74850848

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H82NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3)4)43-53-46(49)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h13,15,19-21,23-25,28,30,34,36,45H,5-12,14,16-18,22,26-27,29,31-33,35,37-44H2,1-4H3,(H,51,52)/b15-13-,21-19-,24-23-,25-20-,30-28-,36-34-
C47H82NO8P820.12963300
74850849

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H82NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3)4)43-53-46(49)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h7,9,13,15,19-21,23-25,28,30,45H,5-6,8,10-12,14,16-18,22,26-27,29,31-44H2,1-4H3,(H,51,52)/b9-7-,15-13-,21-19-,24-23-,25-20-,30-28-
C47H82NO8P820.12963300
74850876

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H82NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3)4)43-53-46(49)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-25,28,30,45H,5-12,17-18,22,26-27,29,31-44H2,1-4H3,(H,51,52)/b15-13-,16-14-,21-19-,24-23-,25-20-,30-28-
C47H82NO8P820.12963300
1234

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