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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 20 results

Search term: C54H86O23 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
76799654

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C54H86O23/c1-22-30(57)33(60)36(63)44(70-22)74-40-39(66)41(43(67)68)75-47(42(40)76-45-37(64)34(61)31(58)25(20-55)71-45)73-29-12-13-51(6)27(50(29,4)5)11-14-53(8)28(51)10-9-23-24-19-49(2,3)15-17-54(24,18-16-52(23,53)7)48(69)77-46-38(65)35(62)32(59)26(21-56)72-46/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1
C54H86O231103.24687700
29814774

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C54H86O23/c1-22-30(57)33(60)36(63)44(70-22)74-40-39(66)41(75-45-37(64)34(61)31(58)25(20-55)71-45)47(76-42(40)43(67)68)73-29-12-13-51(6)27(50(29,4)5)11-14-53(8)28(51)10-9-23-24-19-49(2,3)15-17-54(24,18-16-52(23,53)7)48(69)77-46-38(65)35(62)32(59)26(21-56)72-46/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24-,25+,26+,27?,28?,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42-,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1
C54H86O231103.24687500
9978945

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C54H86O23/c1-23-32(58)35(61)39(65)45(71-23)76-43-27(20-56)73-44(42(68)38(43)64)70-21-28-34(60)37(63)41(67)47(74-28)77-48(69)54-16-14-49(2,3)18-25(54)24-8-9-30-50(4)12-11-31(75-46-40(66)36(62)33(59)26(19-55)72-46)51(5,22-57)29(50)10-13-53(30,7)52(24,6)15-17-54/h8,22-23,25-47,55-56,58-68H,9-21H2,1-7H3/t23-,25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1
C54H86O231103.24683200
26368951

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C54H86O23/c1-49(2)15-17-54(48(68)77-46-38(65)35(62)32(59)26(21-56)72-46)18-16-52(6)23(24(54)19-49)9-10-29-51(5)13-12-30(50(3,4)28(51)11-14-53(29,52)7)73-47-39(66)40(74-45-37(64)34(61)31(58)25(20-55)70-45)41(42(76-47)43(67)69-8)75-44-36(63)33(60)27(22-57)71-44/h9,24-42,44-47,55-66H,10-22H2,1-8H3/t24-,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41-,42-,44+,45-,46-,47+,51-,52+,53+,54-/m0/s1
C54H86O231103.24682200
26635742

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C54H86O23/c1-49(2)15-17-54(48(68)77-46-38(65)35(62)33(60)27(21-56)72-46)18-16-52(6)23(24(54)19-49)9-10-29-51(5)13-12-30(50(3,4)28(51)11-14-53(29,52)7)73-47-42(76-44-36(63)31(58)25(57)22-70-44)40(39(66)41(75-47)43(67)69-8)74-45-37(64)34(61)32(59)26(20-55)71-45/h9,24-42,44-47,55-66H,10-22H2,1-8H3/t24-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1
C54H86O231103.24682200
29216237

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C54H86O23/c1-22-40(73-46-39(65)42(35(61)25(20-56)71-46)74-45-38(64)41(67-9)34(60)24(19-55)70-45)36(62)37(63)44(69-22)75-43-33(59)23(57)21-68-47(43)72-31-14-17-51(6)26(50(31,4)5)12-16-52(7)27-10-11-28-53(8,32-13-15-49(2,3)76-32)77-48(66)54(27,28)30(58)18-29(51)52/h18,22-28,30-47,55-65H,10-17,19-21H2,1-9H3/t22-,23-,24-,25-,26+,27+,28-,30+,31+,32-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,51+,52+,53-,54-/m1/s1
C54H86O231103.24682200
8187019

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C54H86O23/c1-23-11-16-54(48(67)77-45-39(66)36(63)34(61)28(19-55)72-45)18-17-51(6)25(43(54)53(23,8)68)9-10-31-50(5)14-13-32(49(3,4)30(50)12-15-52(31,51)7)74-46-42(71-24(2)57)40(27(59)22-70-46)75-47-41(37(64)35(62)29(20-56)73-47)76-44-38(65)33(60)26(58)21-69-44/h9,23,26-47,55-56,58-66,68H,10-22H2,1-8H3/t23-,26-,27+,28-,29-,30?,31-,32+,33+,34-,35-,36+,37+,38-,39-,40+,41-,42-,43?,44+,45+,46-,47+,50+,51-,52-,53-,54+/m1/s1
C54H86O231103.24682100
8526670

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C54H86O23/c1-22-10-15-53(49(69)77-46-42(68)38(64)34(60)26(18-55)71-46)16-17-54(21-58)25(32(53)23(22)2)8-9-30-51(6)13-12-31(50(4,5)29(51)11-14-52(30,54)7)74-47-43(39(65)35(61)27(19-56)72-47)76-48-44(40(66)36(62)28(20-57)73-48)75-45-41(67)37(63)33(59)24(3)70-45/h8,21-24,26-48,55-57,59-68H,9-20H2,1-7H3/t22-,23+,24+,26-,27-,28-,29+,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,51+,52-,53+,54+/m1/s1
C54H86O231103.24682100
8639326

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C54H86O23/c1-49(2)15-17-54(48(68)77-46-38(65)35(62)32(59)26(21-56)72-46)18-16-52(6)23(24(54)19-49)9-10-29-51(5)13-12-30(50(3,4)28(51)11-14-53(29,52)7)73-47-41(75-45-37(64)34(61)31(58)25(20-55)70-45)39(66)40(42(76-47)43(67)69-8)74-44-36(63)33(60)27(22-57)71-44/h9,24-42,44-47,55-66H,10-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39-,40-,41+,42-,44+,45-,46-,47+,51-,52+,53+,54-/m0/s1
C54H86O231103.24682100
8661766

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C54H86O23/c1-49(2)15-17-54(48(68)77-46-38(65)35(62)33(60)27(21-56)72-46)18-16-52(6)23(24(54)19-49)9-10-29-51(5)13-12-30(50(3,4)28(51)11-14-53(29,52)7)73-47-42(76-44-36(63)31(58)25(57)22-70-44)40(39(66)41(75-47)43(67)69-8)74-45-37(64)34(61)32(59)26(20-55)71-45/h9,24-42,44-47,55-66H,10-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1
C54H86O231103.24682100
8661767

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C54H86O23/c1-49(2)15-17-54(48(68)77-46-38(65)35(62)33(60)27(21-56)72-46)18-16-52(6)23(24(54)19-49)9-10-29-51(5)13-12-30(50(3,4)28(51)11-14-53(29,52)7)73-47-42(76-44-36(63)31(58)25(57)22-70-44)40(39(66)41(75-47)43(67)69-8)74-45-37(64)34(61)32(59)26(20-55)71-45/h9,24-42,44-47,55-66H,10-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31-,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1
C54H86O231103.24682100
8900226

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C54H86O23/c1-22-30(57)33(60)38(65)44(70-22)75-41-35(62)32(59)26(21-56)72-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-29-12-13-51(6)27(50(29,4)5)11-14-53(8)28(51)10-9-23-24-19-49(2,3)15-17-54(24,18-16-52(23,53)7)48(69)77-45-39(66)34(61)31(58)25(20-55)71-45/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24-,25+,26+,27?,28+,29-,30-,31+,32-,33+,34-,35-,36-,37-,38+,39+,40-,41+,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1
C54H86O231103.24682100
76793493

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C54H86O23/c1-21-30(57)33(60)36(63)44(70-21)74-40-39(66)41(43(67)68)75-47(42(40)76-46-38(65)35(62)32(59)25(20-55)72-46)73-29-13-14-51(7)26(50(29,5)6)12-15-52(8)27(51)11-10-23-24-18-49(3,4)16-17-54(24,28(56)19-53(23,52)9)48(69)77-45-37(64)34(61)31(58)22(2)71-45/h10,21-22,24-42,44-47,55-66H,11-20H2,1-9H3,(H,67,68)/t21-,22-,24-,25+,26-,27+,28-,29-,30-,31-,32+,33+,34+,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54+/m0/s1
C54H86O231103.24682200
81367027

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C54H86O23/c1-22(2)10-9-15-53(8,68)44-26-18-52(7)25-11-12-30-50(4,5)31(14-16-51(30,6)24(25)13-17-54(44,52)49(67)73-26)74-48-43(36(62)33(59)28(20-56)72-48)77-45-39(65)37(63)41(23(3)69-45)75-47-40(66)42(34(60)29(21-57)71-47)76-46-38(64)35(61)32(58)27(19-55)70-46/h11,23-24,26-48,55-66,68H,1,9-10,12-21H2,2-8H3/t23-,24-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,43-,44-,45+,46+,47+,48+,51-,52+,53+,54-/m1/s1
C54H86O231103.24682200
103885052

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C54H86O23/c1-22-30(57)33(60)38(65)44(70-22)75-41-35(62)32(59)26(21-56)72-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-29-12-13-51(6)27(50(29,4)5)11-14-53(8)28(51)10-9-23-24-19-49(2,3)15-17-54(24,18-16-52(23,53)7)48(69)77-45-39(66)34(61)31(58)25(20-55)71-45/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32-,33+,34-,35-,36-,37-,38+,39+,40-,41+,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1
C54H86O231103.24681100
129309289

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C54H86O23/c1-22-30(56)32(58)37(63)45(71-22)75-41-25(20-55)72-44(40(66)36(41)62)70-21-26-31(57)33(59)38(64)46(73-26)77-48(69)54-17-15-49(2,3)19-24(54)23-9-10-28-51(6)13-12-29(74-47-39(65)34(60)35(61)42(76-47)43(67)68)50(4,5)27(51)11-14-53(28,8)52(23,7)16-18-54/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41+,42-,44+,45-,46-,47+,51-,52+,53+,54-/m0/s1
C54H86O231103.24681100

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