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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 37 results

Search term: C49H86NO8P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24769143

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,35,37,47H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-/t47-/m1/s1
C49H86NO8P848.18286600
24769014

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,47H,3-10,15-16,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t47-/m1/s1
C49H86NO8P848.18286600
24769045

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,47H,3-10,15-16,21-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t47-/m1/s1
C49H86NO8P848.18286600
24768952

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,36,38,47H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1
C49H86NO8P848.18286600
24768982

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,36,38,47H,3-11,13,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1
C49H86NO8P848.18285500
24768983

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,47H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t47-/m1/s1
C49H86NO8P848.18285500
24768926

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,27,29,33,35,47H,3-5,7,9-11,13,15-16,21-26,28,30-32,34,36-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,29-27-,35-33-/t47-/m1/s1
C49H86NO8P848.18285500
24769078

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,35,37,47H,3-10,12,14-16,21-22,24,26-28,30,32-34,36,38-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t47-/m1/s1
C49H86NO8P848.18285500
24769111

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,47H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t47-/m1/s1
C49H86NO8P848.18285500
24769204

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,28,30,34,36,47H,3-5,7,9-11,13,15-16,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,20-18-,30-28-,36-34-/t47-/m1/s1
C49H86NO8P848.18285500
74851132

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,27,29,33,35,47H,5-12,17-18,23-26,28,30-32,34,36-46H2,1-4H3,(H,53,54)/b15-13-,16-14-,21-19-,22-20-,29-27-,35-33-
C49H86NO8P848.18283300
74851161

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,27,29,47H,5-7,9,11-12,17-18,23-26,28,30-46H2,1-4H3,(H,53,54)/b10-8-,15-13-,16-14-,21-19-,22-20-,29-27-
C49H86NO8P848.18283300
74851189

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h8,10,14,16,19-22,27,29,33,35,47H,5-7,9,11-13,15,17-18,23-26,28,30-32,34,36-46H2,1-4H3,(H,53,54)/b10-8-,16-14-,21-19-,22-20-,29-27-,35-33-
C49H86NO8P848.18283300
74851243

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h8,10,14,16,19-22,28,30,34,36,47H,5-7,9,11-13,15,17-18,23-27,29,31-33,35,37-46H2,1-4H3,(H,53,54)/b10-8-,16-14-,21-19-,22-20-,30-28-,36-34-
C49H86NO8P848.18283300
74851270

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,28,30,34,36,47H,5-12,17-18,23-27,29,31-33,35,37-46H2,1-4H3,(H,53,54)/b15-13-,16-14-,21-19-,22-20-,30-28-,36-34-
C49H86NO8P848.18283300
74851271

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,28,30,47H,5-7,9,11-12,17-18,23-27,29,31-46H2,1-4H3,(H,53,54)/b10-8-,15-13-,16-14-,21-19-,22-20-,30-28-
C49H86NO8P848.18283300
74851296

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,24,26,29,31,47H,5-12,17-18,23,25,27-28,30,32-46H2,1-4H3,(H,53,54)/b15-13-,16-14-,21-19-,22-20-,26-24-,31-29-
C49H86NO8P848.18283300
74851322

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h13,15,19-22,24,26,29,31,35,37,47H,5-12,14,16-18,23,25,27-28,30,32-34,36,38-46H2,1-4H3,(H,53,54)/b15-13-,21-19-,22-20-,26-24-,31-29-,37-35-
C49H86NO8P848.18283300
74851349

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h7,9,13,15,19-22,24,26,29,31,47H,5-6,8,10-12,14,16-18,23,25,27-28,30,32-46H2,1-4H3,(H,53,54)/b9-7-,15-13-,21-19-,22-20-,26-24-,31-29-
C49H86NO8P848.18283300
74851375

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h7,9,13,15,19,21,24,26,29,31,35,37,47H,5-6,8,10-12,14,16-18,20,22-23,25,27-28,30,32-34,36,38-46H2,1-4H3,(H,53,54)/b9-7-,15-13-,21-19-,26-24-,31-29-,37-35-
C49H86NO8P848.18283300
12

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