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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 10 results

Search term: C52H80O24 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57620811

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C52H80O24/c1-20-38(73-41-35(63)30(58)23(55)17-68-41)34(62)37(65)42(70-20)74-39-31(59)24(56)18-69-44(39)76-45(66)51-12-11-47(2,3)13-22(51)21-7-8-27-48(4)14-25-40(75-43-36(64)33(61)32(60)26(16-53)71-43)52(19-54,46(67)72-25)28(48)9-10-49(27,5)50(21,6)15-29(51)57/h7,20,22-44,53-65H,8-19H2,1-6H3/t20-,22-,23+,24-,25-,26+,27+,28+,29+,30-,31-,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,48+,49+,50+,51+,52+/m0/s1
C52H80O241089.1772111000
29814574

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C52H80O24/c1-20-36(72-41-33(61)28(56)24(54)18-69-41)32(60)35(63)42(71-20)74-38-29(57)25(55)19-70-44(38)76-46(68)52-14-12-47(2,3)16-22(52)21-8-9-26-48(4)17-23(53)39(75-43-34(62)30(58)31(59)37(73-43)40(64)65)51(7,45(66)67)27(48)10-11-50(26,6)49(21,5)13-15-52/h8,20,22-39,41-44,53-63H,9-19H2,1-7H3,(H,64,65)(H,66,67)/t20-,22-,23-,24+,25-,26?,27?,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,41-,42-,43-,44-,48+,49+,50+,51+,52-/m0/s1
C52H80O241089.17727500
128441866

Double-bond stereo

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C52H80O24/c1-7-20(2)46(68)76-43-44(69-21(3)57)52(19-56)28(15-50(43,4)5)25-9-8-22-23(26(25)14-31(52)58)10-12-27-24(22)11-13-32(51(27,6)18-55)72-49-41(74-48-38(64)36(62)34(60)30(17-54)71-48)39(65)40(42(75-49)45(66)67)73-47-37(63)35(61)33(59)29(16-53)70-47/h7,9,22-24,26-44,47-49,53-56,58-65H,8,10-19H2,1-6H3,(H,66,67)/b20-7+/t22-,23+,24+,26-,27+,28-,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51+,52-/m0/s1
C52H80O241089.17722200
8709592

23 of 24 defined stereocentres - 23/24 defined
InChI=1/C52H80O24/c1-47(2)14-16-52(46(68)76-44-34(61)32(59)31(58)25(19-53)71-44)17-15-50(6)22(23(52)18-47)8-9-27-49(5)12-11-28(48(3,4)26(49)10-13-51(27,50)7)72-45-39(75-42-33(60)30(57)24(54)20-69-42)37(35(62)38(74-45)41(66)67)73-43(36(63)40(64)65)70-21-29(55)56/h8,23-28,30-39,42-45,53-54,57-63H,9-21H2,1-7H3,(H,55,56)(H,64,65)(H,66,67)/t23-,24+,25+,26?,27+,28-,30-,31+,32-,33+,34+,35-,36-,37-,38-,39+,42-,43-,44-,45+,49-,50+,51+,52-/m0/s1
C52H80O241089.17722100
9345778

22 of 30 defined stereocentres - 22/30 defined
InChI=1/C52H80O24/c1-5-9-13-55-43-39-33-25(19-61-39)67-51(43)75-35-27-21-63-41(35)45(57-15-11-7-3)49(69-27)73-32-24-18-60-38(32)30(54)48(66-24)72-34-26-20-62-40(34)44(56-14-10-6-2)52(68-26)76-36-28-22-64-42(36)46(58-16-12-8-4)50(70-28)74-31-23-17-59-37(31)29(53)47(65-23)71-33/h23-54H,5-22H2,1-4H3/t23?,24?,25-,26?,27-,28?,29+,30+,31?,32?,33+,34?,35+,36?,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+/m0/s1
C52H80O241089.17722100
71044122

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C52H80O24/c1-20-36(72-41-33(61)28(56)24(54)18-69-41)32(60)35(63)42(71-20)74-38-29(57)25(55)19-70-44(38)76-46(68)52-14-12-47(2,3)16-22(52)21-8-9-26-48(4)17-23(53)39(75-43-34(62)30(58)31(59)37(73-43)40(64)65)51(7,45(66)67)27(48)10-11-50(26,6)49(21,5)13-15-52/h8,20,22-39,41-44,53-63H,9-19H2,1-7H3,(H,64,65)(H,66,67)/t20-,22-,23-,24+,25-,26?,27?,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,41-,42-,43-,44-,48+,49+,50+,51-,52-/m0/s1
C52H80O241089.17721200
103884770

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C52H80O24/c1-20-36(72-41-33(61)28(56)24(54)18-69-41)32(60)35(63)42(71-20)74-38-29(57)25(55)19-70-44(38)76-46(68)52-14-12-47(2,3)16-22(52)21-8-9-26-48(4)17-23(53)39(75-43-34(62)30(58)31(59)37(73-43)40(64)65)51(7,45(66)67)27(48)10-11-50(26,6)49(21,5)13-15-52/h8,20,22-39,41-44,53-63H,9-19H2,1-7H3,(H,64,65)(H,66,67)/t20-,22-,23-,24+,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,41-,42-,43-,44-,48+,49+,50+,51-,52-/m0/s1
C52H80O241089.17721100
113600623

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C52H80O24/c1-20-36(72-41-33(61)28(56)24(54)18-69-41)32(60)35(63)42(71-20)74-38-29(57)25(55)19-70-44(38)76-46(68)52-14-12-47(2,3)16-22(52)21-8-9-26-48(4)17-23(53)39(75-43-34(62)30(58)31(59)37(73-43)40(64)65)51(7,45(66)67)27(48)10-11-50(26,6)49(21,5)13-15-52/h8,20,22-39,41-44,53-63H,9-19H2,1-7H3,(H,64,65)(H,66,67)/t20-,22-,23-,24+,25-,26?,27?,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,41-,42-,43-,44-,48+,49+,50+,51+,52-/m1/s1
C52H80O241089.17721100
113601160

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C52H80O24/c1-20-38(73-41-35(63)30(58)23(55)17-68-41)34(62)37(65)42(70-20)74-39-31(59)24(56)18-69-44(39)76-45(66)51-12-11-47(2,3)13-22(51)21-7-8-27-48(4)14-25-40(75-43-36(64)33(61)32(60)26(16-53)71-43)52(19-54,46(67)72-25)28(48)9-10-49(27,5)50(21,6)15-29(51)57/h7,20,22-44,53-65H,8-19H2,1-6H3/t20-,22-,23+,24-,25-,26+,27+,28+,29+,30-,31-,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,48+,49+,50+,51+,52+/m1/s1
C52H80O241089.17721100

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