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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 43 results

Search term: C54H92O23 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8073937

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,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-,51-,52+,53+,54-/m0/s1
C54H92O231109.2945547300
65924

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,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-,51-,52+,53+,54?/m0/s1
C54H92O231109.2945121100
382521

0 of 30 defined stereocentres - 0/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3
C54H92O231109.294510700
17471412

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,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+,51-,52+,53+,54?/m0/s1
C54H92O231109.29456300
22912911

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24?,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+,51+,52-,53-,54+/m1/s1
C54H92O231109.29456400
60958715

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,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+,51-,52+,53+,54?/m0/s1
C54H92O231109.29454400
9312057

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C54H92O23/c1-22(2)11-10-14-54(9,77-48-43(69)39(65)36(62)29(75-48)21-70-46-41(67)38(64)34(60)27(19-55)73-46)24-12-16-52(7)32(24)25(57)17-30-51(6)15-13-31(58)50(4,5)45(51)26(18-53(30,52)8)72-49-44(40(66)35(61)28(20-56)74-49)76-47-42(68)37(63)33(59)23(3)71-47/h11,23-49,55-69H,10,12-21H2,1-9H3/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+,51+,52+,53+,54-/m0/s1
C54H92O231109.29454300
77452158

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,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-,51-,52+,53+,54?/m0/s1
C54H92O231109.29454300
59007098

Double-bond stereo

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C54H92O23/c1-22(2)11-10-14-54(9,77-48-43(69)39(65)36(62)29(74-48)21-70-46-41(67)37(63)33(59)23(3)71-46)24-12-15-53(8)32(24)25(57)17-31-51(6)18-26(58)45(50(4,5)30(51)13-16-52(31,53)7)76-49-44(40(66)35(61)28(20-56)73-49)75-47-42(68)38(64)34(60)27(19-55)72-47/h10-11,22-49,55-69H,12-21H2,1-9H3/b11-10+/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-,51-,52+,53+,54-/m0/s1
C54H92O231109.29453300
68897729

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,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-,51-,52+,53+,54-/m1/s1
C54H92O231109.29453300
58803534

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,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+,51-,52+,53+,54-/m0/s1
C54H92O231109.29453300
26330343

30 of 31 defined stereocentres - 30/31 defined
InChI=1/C54H92O23/c1-22(2)10-9-13-54(8,77-49-45(69)41(65)38(62)31(74-49)21-70-47-43(67)39(63)35(59)28(18-55)71-47)25-12-15-53(7)34(25)27(58)17-26-33-23(3)16-32(51(4,5)24(33)11-14-52(26,53)6)75-50-46(42(66)37(61)30(20-57)73-50)76-48-44(68)40(64)36(60)29(19-56)72-48/h10,23-50,55-69H,9,11-21H2,1-8H3/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+,52-,53-,54+/m1/s1
C54H92O231109.29453300
34992212

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,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-,51-,52+,53+,54-/m0/s1
C54H92O231109.29452300
58802445

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,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-,51-,52+,53-,54-/m0/s1
C54H92O231109.29452200
58825240

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24?,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+,51+,52-,53-,54+/m1/s1
C54H92O231109.29452200
10142321

24 of 30 defined stereocentres - 24/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24?,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+,51+,52-,53?,54?/m1/s1
C54H92O231109.29452200
10142356

20 of 30 defined stereocentres - 20/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-49-45(41(67)37(63)29(22-58)73-49)76-47-43(69)39(65)35(61)27(20-56)71-47)24-11-16-53(7)33(24)25(59)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)74-48-44(40(66)36(62)28(21-57)72-48)75-46-42(68)38(64)34(60)26(19-55)70-46/h10,24-49,55-69H,9,11-22H2,1-8H3/t24?,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+,51?,52?,53?,54?/m1/s1
C54H92O231109.29452200
8571845

27 of 30 defined stereocentres - 27/30 defined
InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,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-,51-,52+,53+,54?/m0/s1
C54H92O231109.29452100
8924051

30 of 31 defined stereocentres - 30/31 defined
InChI=1/C54H92O23/c1-22(2)11-10-14-54(9,77-48-42(69)39(66)43(29(21-57)74-48)75-47-41(68)37(64)34(61)27(19-55)72-47)24-12-16-52(7)32(24)25(58)17-30-51(6)15-13-31(59)50(4,5)45(51)26(18-53(30,52)8)71-49-44(38(65)35(62)28(20-56)73-49)76-46-40(67)36(63)33(60)23(3)70-46/h11,23-49,55-69H,10,12-21H2,1-9H3/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+,51+,52+,53+,54-/m0/s1
C54H92O231109.29452100
8995333

20 of 24 defined stereocentres - 20/24 defined
InChI=1/C54H92O23/c1-11-13-19-22-33-23-20-17-15-14-16-18-21-24-35(56)72-46-43(75-51-41(62)40(61)42(31(9)68-51)73-48(63)26(3)4)32(10)69-54(47(46)74-49(64)27(5)12-2)77-45-39(60)37(58)34(25-66-50(65)28(6)29(7)55)71-53(45)76-44-38(59)36(57)30(8)67-52(44)70-33/h26-34,36-47,51-55,57-62H,11-25H2,1-10H3/t27?,28?,29?,30-,31-,32+,33?,34-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46-,47-,51-,52+,53+,54+/m1/s1
C54H92O231109.29452100
123

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