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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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Found 458 results

Search term: C59H102O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7823575

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-31,56H,4-15,22-24,29,32-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1
C59H102O6907.43769900
7823584

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,34,40,43,56H,4-15,17-18,20,22-23,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,43-40-/t56-/m1/s1
C59H102O6907.43769900
7823588

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,31-32,34,40,43,56H,4-15,17,20,22-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,34-32-,43-40-/t56-/m1/s1
C59H102O6907.43769900
7823589

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-32,34,40,43,56H,4-15,17-18,20-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
C59H102O6907.43769900
7823565

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,30-31,56H,4-7,10,13-16,19,22-25,28-29,32-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-/t56-/m1/s1
C59H102O6907.43767900
7823569

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-31,56H,4-8,10-11,13-16,19,22-24,29,32-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1
C59H102O6907.43767900
24768228

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,35,37,56H,4-6,8-9,11-15,17-18,20-24,28,32-34,36,38-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-35-/t56-/m1/s1
C59H102O6907.43766500
24768251

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-32,34,56H,4-15,18,21-24,29,33,35-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,34-32-/t56-/m1/s1
C59H102O6907.43766500
59655226

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,30-31,36,38-39,41,56H,4-16,19,22-25,28-29,32-35,37,40,42-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,39-36-,41-38-/t56-/m1/s1
C59H102O6907.43765600
59655397

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,30-31,36,39,56H,4-8,10-11,13-16,19,22-25,28-29,32-35,37-38,40-55H2,1-3H3/b12-9-,20-17-,21-18-,30-26-,31-27-,39-36-/t56-/m1/s1
C59H102O6907.43765600
59655420

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,30-31,38,41,56H,4-8,10-11,13-16,19,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b12-9-,20-17-,21-18-,30-26-,31-27-,41-38-/t56-/m1/s1
C59H102O6907.43765600
59656127

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,33,35,41,44,56H,4-7,9-10,12-14,16,19,21-24,26,28-32,34,36-40,42-43,45-55H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,35-33-,44-41-/t56-/m1/s1
C59H102O6907.43765600
59660530

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-31,38,41,56H,4-16,19,22-24,29,32-37,39-40,42-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,41-38-/t56-/m1/s1
C59H102O6907.43765600
84400441

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-32,34,40,43,56H,4-15,17-18,20-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-,43-40-
C59H102O6907.43765600
30777946

Double-bond stereo
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,25-28,30-32,35,41,44,56H,4-15,17-18,20-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,35-32-,44-41-
C59H102O6907.43764400
30777951

Double-bond stereo
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-28,30-32,35,56H,4-6,8-9,11-15,17-18,20-24,29,33-34,36-55H2,1-3H3/b10-7-,19-16-,28-25-,30-26-,31-27-,35-32-
C59H102O6907.43764400
30777987

Double-bond stereo
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,31-32,34-35,39-40,42-43,56H,4-24,29-30,33,36-38,41,44-55H2,1-3H3/b27-25-,28-26-,34-31-,35-32-,42-39-,43-40-
C59H102O6907.43764400
30778103

Double-bond stereo
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,30-31,36-37,39-40,56H,4-16,19,22-25,28-29,32-35,38,41-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,39-36-,40-37-
C59H102O6907.43764400
30778161

Double-bond stereo
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,56H,4-15,18,21-24,29-30,33,36-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-
C59H102O6907.43764400
30778303

Double-bond stereo
InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,30-31,56H,4-7,10,13-16,19,22-25,28-29,32-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,30-26-,31-27-
C59H102O6907.43764400
12345

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