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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 21 results

Search term: C52H82O23 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9484218

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C52H82O23/c1-8-25(55)27-15-21(2)52(75-27)16-31(57)51(7)24-9-10-30-48(4,23(24)11-14-50(51,52)6)13-12-32(49(30,5)20-54)72-45-41(66)38(63)36(61)29(71-45)19-68-46-42(34(59)26(56)18-67-46)74-47-43(39(64)35(60)28(17-53)70-47)73-44-40(65)37(62)33(58)22(3)69-44/h21-22,26-30,32-47,53-54,56,58-66H,8-20H2,1-7H3/t21-,22+,26+,27-,28-,29-,30-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51-,52+/m1/s1
C52H82O231075.19374300
26333297

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C52H82O23/c1-47(2)14-15-52(46(67)75-43-35(62)33(60)32(59)25(18-53)70-43)22(16-47)21-8-9-27-49(5)12-11-29(48(3,4)26(49)10-13-50(27,6)51(21,7)17-28(52)56)71-44-37(64)38(36(63)39(73-44)41(65)66)72-45-40(31(58)24(55)20-69-45)74-42-34(61)30(57)23(54)19-68-42/h8,22-40,42-45,53-64H,9-20H2,1-7H3,(H,65,66)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-,40+,42-,43-,44+,45-,49-,50+,51+,52+/m0/s1
C52H82O231075.19374500
114928685

24 of 26 defined stereocentres - 24/26 defined
InChI=1/C52H82O23/c1-21(55)68-20-52-24(16-47(3,4)42(41(52)65)69-22(2)56)23-10-11-28-49(7)14-13-30(48(5,6)27(49)12-15-50(28,8)51(23,9)17-29(52)57)72-46-39(74-45-36(63)34(61)32(59)26(19-54)71-45)37(64)38(40(75-46)43(66)67)73-44-35(62)33(60)31(58)25(18-53)70-44/h10,24-42,44-46,53-54,57-65H,11-20H2,1-9H3,(H,66,67)/t24-,25+,26+,27?,28?,29+,30-,31+,32+,33-,34-,35+,36+,37-,38-,39+,40-,41-,42-,44-,45-,46+,49-,50+,51+,52-/m0/s1
C52H82O231075.19374400
22912840

23 of 26 defined stereocentres - 23/26 defined
InChI=1/C52H82O23/c1-46(2)14-15-52(45(66)75-42-34(61)32(59)31(58)25(18-53)70-42)23(16-46)22-8-9-27-48(5)12-11-29(47(3,4)26(48)10-13-49(27,6)50(22,7)17-28(52)56)71-43-35(62)36(72-44-39(63)51(67,20-54)21-69-44)37(38(74-43)40(64)65)73-41-33(60)30(57)24(55)19-68-41/h8,23-39,41-44,53-63,67H,9-21H2,1-7H3,(H,64,65)/t23?,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
C52H82O231075.19373100
23327162

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C52H82O23/c1-8-25(55)27-15-21(2)52(75-27)16-31(57)51(7)24-9-10-30-48(4,23(24)11-14-50(51,52)6)13-12-32(49(30,5)20-54)72-45-41(66)38(63)36(61)29(71-45)19-68-46-42(34(59)26(56)18-67-46)74-47-43(39(64)35(60)28(17-53)70-47)73-44-40(65)37(62)33(58)22(3)69-44/h21-22,26-30,32-47,53-54,56,58-66H,8-20H2,1-7H3/t21-,22+,26+,27+,28-,29-,30-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51-,52+/m1/s1
C52H82O231075.19372200
24687504

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C52H82O23/c1-22-35(72-40-33(60)30(57)26(56)19-68-40)36(73-43-39(63)52(67,20-54)21-69-43)34(61)41(70-22)74-37-32(59)31(58)27(18-53)71-42(37)75-45(66)51-14-12-46(2,3)16-24(51)23-8-9-28-47(4)17-25(55)38(62)50(7,44(64)65)29(47)10-11-49(28,6)48(23,5)13-15-51/h8,22,24-43,53-63,67H,9-21H2,1-7H3,(H,64,65)/t22-,24-,25-,26+,27+,28+,29+,30-,31+,32-,33+,34+,35-,36-,37+,38-,39+,40-,41-,42-,43+,47+,48+,49+,50-,51-,52-/m0/s1
C52H82O231075.19372200
9839996

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C52H82O23/c1-21-8-13-52(66-19-21)22(2)34-30(75-52)15-28-26-7-6-24-14-25(9-11-50(24,4)27(26)10-12-51(28,34)5)68-48-44(67-23(3)56)41(64)42(33(18-55)71-48)72-49-45(74-47-40(63)38(61)36(59)31(16-53)69-47)43(37(60)32(17-54)70-49)73-46-39(62)35(58)29(57)20-65-46/h6,21-22,25-49,53-55,57-64H,7-20H2,1-5H3/t21-,22-,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
C52H82O231075.193682100
9882647

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C52H82O23/c1-22-35(72-40-33(60)30(57)26(56)19-68-40)36(73-43-39(63)52(67,20-54)21-69-43)34(61)41(70-22)74-37-32(59)31(58)27(18-53)71-42(37)75-45(66)51-14-12-46(2,3)16-24(51)23-8-9-28-47(4)17-25(55)38(62)50(7,44(64)65)29(47)10-11-49(28,6)48(23,5)13-15-51/h8,22,24-43,53-63,67H,9-21H2,1-7H3,(H,64,65)/t22-,24-,25-,26+,27+,28+,29+,30-,31+,32-,33+,34+,35-,36-,37+,38-,39-,40-,41-,42-,43-,47+,48+,49+,50-,51-,52+/m0/s1
C52H82O231075.193682100
9962722

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C52H82O23/c1-21(2)22-9-14-51(15-16-52(46(65)66)23(31(22)51)7-8-29-49(5)12-11-30(57)48(3,4)28(49)10-13-50(29,52)6)47(67)75-45-40(36(62)34(60)27(18-54)71-45)73-44-41(74-43-38(64)35(61)33(59)26(17-53)70-43)39(25(56)20-69-44)72-42-37(63)32(58)24(55)19-68-42/h22-45,53-64H,1,7-20H2,2-6H3,(H,65,66)/t22-,23+,24+,25+,26+,27+,28?,29+,30-,31?,32-,33+,34+,35-,36-,37+,38+,39-,40+,41+,42-,43-,44-,45-,49-,50+,51-,52+/m0/s1
C52H82O231075.19372100
9978897

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C52H82O23/c1-22(54)30-14-17-52(62)50(30,8)46(70-27(6)56)44(69-26(5)55)45-49(7)15-13-29(18-28(49)12-16-51(45,52)61)71-34-19-31(63-9)40(23(2)66-34)73-35-20-32(64-10)41(24(3)67-35)74-48-39(60)43(65-11)42(25(4)68-48)75-47-38(59)37(58)36(57)33(21-53)72-47/h12,23-25,29-48,53,57-62H,13-21H2,1-11H3/t23-,24-,25-,29+,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,42-,43+,44+,45-,46-,47+,48+,49+,50+,51+,52-/m1/s1
C52H82O231075.19372100
10025717

25 of 30 defined stereocentres - 25/30 defined
InChI=1/C52H82O23/c1-21-8-13-52(66-19-21)22(2)34-30(75-52)15-28-26-7-6-24-14-25(9-11-50(24,4)27(26)10-12-51(28,34)5)68-48-44(67-23(3)56)41(64)42(33(18-55)71-48)72-49-45(74-47-40(63)38(61)36(59)31(16-53)69-47)43(37(60)32(17-54)70-49)73-46-39(62)35(58)29(57)20-65-46/h6,21-22,25-49,53-55,57-64H,7-20H2,1-5H3/t21?,22-,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
C52H82O231075.19372100
10136364

24 of 27 defined stereocentres - 24/27 defined
InChI=1/C52H82O23/c1-22-35(72-40-33(60)30(57)26(56)19-68-40)36(73-43-39(63)52(67,20-54)21-69-43)34(61)41(70-22)74-37-32(59)31(58)27(18-53)71-42(37)75-45(66)51-14-12-46(2,3)16-24(51)23-8-9-28-47(4)17-25(55)38(62)50(7,44(64)65)29(47)10-11-49(28,6)48(23,5)13-15-51/h8,22,24-43,53-63,67H,9-21H2,1-7H3,(H,64,65)/t22-,24?,25-,26+,27+,28?,29?,30-,31+,32-,33+,34+,35-,36-,37+,38-,39-,40-,41-,42-,43-,47+,48+,49+,50-,51-,52+/m0/s1
C52H82O231075.19372100
8594090

24 of 27 defined stereocentres - 24/27 defined
InChI=1/C52H82O23/c1-22-31(57)33(59)38(74-41-35(61)37(71-30-18-52(67,21-54)45(66)72-30)36(23(2)70-41)73-40-34(60)32(58)27(56)19-68-40)42(69-22)75-44(65)50-13-12-46(3,4)16-25(50)24-8-9-28-47(5)17-26(55)39(62)49(7,43(63)64)29(47)10-11-48(28,6)51(24,20-53)15-14-50/h8,22-23,25-42,45,53-62,66-67H,9-21H2,1-7H3,(H,63,64)/t22-,23+,25?,26+,27-,28?,29?,30-,31+,32+,33+,34-,35-,36+,37+,38-,39+,40+,41+,42+,45-,47-,48-,49+,50+,51+,52-/m1/s1
C52H82O231075.19372100
8594091

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C52H82O23/c1-20-9-12-52(67-17-20)21(2)34-30(75-52)15-28-26-8-7-24-13-25(55)14-33(51(24,6)27(26)10-11-50(28,34)5)71-49-45(44(38(60)32(70-49)19-65-23(4)54)73-46-40(62)36(58)29(56)18-66-46)74-48-42(64)43(35(57)22(3)68-48)72-47-41(63)39(61)37(59)31(16-53)69-47/h7,20-22,25-49,53,55-64H,8-19H2,1-6H3/t20-,21-,22-,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
C52H82O231075.19372100
8639255

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C52H82O23/c1-23-15-51(74-41(23)64)16-24(2)52(75-51)14-13-48(5)26-7-8-30-46(3,25(26)9-12-49(48,52)6)11-10-31(47(30,4)20-54)71-42-37(62)35(60)34(59)29(70-42)19-67-43-38(32(57)27(56)18-66-43)72-44-39(36(61)33(58)28(17-53)69-44)73-45-40(63)50(65,21-55)22-68-45/h23-24,27-40,42-45,53-63,65H,7-22H2,1-6H3/t23-,24-,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,42+,43+,44+,45+,46-,47-,48+,49+,50-,51+,52+/m1/s1
C52H82O231075.19372100
26368422

26 of 27 defined stereocentres - 26/27 defined
InChI=1/C52H82O23/c1-47(2)14-15-52(67)22(16-47)21-8-9-27-49(5)12-11-29(48(3,4)26(49)10-13-50(27,6)51(21,7)17-28(52)56)71-46-41(75-44-36(63)33(60)31(58)24(18-53)69-44)38(37(64)39(73-46)42(65)66)72-45-40(34(61)32(59)25(19-54)70-45)74-43-35(62)30(57)23(55)20-68-43/h8,22-27,29-41,43-46,53-55,57-64,67H,9-20H2,1-7H3,(H,65,66)/t22-,23+,24-,25+,26?,27+,29-,30-,31+,32-,33+,34-,35+,36-,37-,38-,39-,40+,41+,43-,44+,45-,46+,49-,50+,51+,52+/m0/s1
C52H82O231075.19372200
34229625

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C52H82O23/c1-20-14-52(15-21(2)42(65)75-52)74-26-16-51(7)24-8-9-28-48(4,23(24)10-13-50(51,6)30(20)26)12-11-29(49(28,5)19-54)69-44-38(63)35(60)39(64)45(72-44)73-46-40(32(57)25(55)18-66-46)71-47-41(36(61)33(58)27(17-53)68-47)70-43-37(62)34(59)31(56)22(3)67-43/h20-22,25-41,43-47,53-64H,8-19H2,1-7H3/t20-,21-,22+,25+,26-,27+,28-,29+,30+,31+,32+,33-,34+,35-,36+,37-,38+,39+,40+,41+,43+,44-,45+,46+,47+,48-,49+,50-,51+,52+/m1/s1
C52H82O231075.19372200
71044155

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C52H82O23/c1-21-38(72-41-35(62)30(57)25(55)19-68-41)34(61)37(64)42(70-21)73-39-31(58)26(56)20-69-44(39)75-46(67)52-14-12-47(2,3)16-23(52)22-8-9-28-48(4)17-24(54)40(74-43-36(63)33(60)32(59)27(18-53)71-43)51(7,45(65)66)29(48)10-11-50(28,6)49(22,5)13-15-52/h8,21,23-44,53-64H,9-20H2,1-7H3,(H,65,66)/t21-,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
C52H82O231075.19371200
103884149

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C52H82O23/c1-21-38(72-41-35(62)30(57)25(55)19-68-41)34(61)37(64)42(70-21)73-39-31(58)26(56)20-69-44(39)75-46(67)52-14-12-47(2,3)16-23(52)22-8-9-28-48(4)17-24(54)40(74-43-36(63)33(60)32(59)27(18-53)71-43)51(7,45(65)66)29(48)10-11-50(28,6)49(22,5)13-15-52/h8,21,23-44,53-64H,9-20H2,1-7H3,(H,65,66)/t21-,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
C52H82O231075.19371100
24785673

0 of 28 defined stereocentres - 0/28 defined
InChI=1/C52H82O23/c1-21-38(72-41-35(62)30(57)25(55)19-68-41)34(61)37(64)42(70-21)73-39-31(58)26(56)20-69-44(39)75-46(67)52-14-12-47(2,3)16-23(52)22-8-9-28-48(4)17-24(54)40(74-43-36(63)33(60)32(59)27(18-53)71-43)51(7,45(65)66)29(48)10-11-50(28,6)49(22,5)13-15-52/h8,21,23-44,53-64H,9-20H2,1-7H3,(H,65,66)
C52H82O231075.19371100
12

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