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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 27 results

Search term: C58H94O25 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21468738

32 of 32 defined stereocentres - 32/32 defined
InChI=1/C58H94O25/c1-23-34(63)37(66)40(69)48(76-23)81-45-28(61)22-74-47(43(45)72)80-44-24(2)77-49(42(71)39(44)68)82-46-35(64)27(60)21-75-51(46)83-52(73)58-17-16-53(3,4)18-26(58)25-10-11-31-55(7)14-13-33(79-50-41(70)38(67)36(65)29(20-59)78-50)54(5,6)30(55)12-15-56(31,8)57(25,9)19-32(58)62/h10,23-24,26-51,59-72H,11-22H2,1-9H3/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+,49+,50-,51+,55-,56+,57+,58+/m0/s1
C58H94O251191.352131200
2991206

0 of 31 defined stereocentres - 0/31 defined
InChI=1/C58H94O25/c1-24-34(62)45(81-48-41(69)35(63)27(60)21-74-48)44(72)50(77-24)82-46-36(64)28(61)22-75-51(46)80-33-12-13-55(6)31(54(33,4)5)11-14-57(8)32(55)10-9-25-26-19-53(2,3)15-17-58(26,18-16-56(25,57)7)52(73)83-49-43(71)40(68)38(66)30(79-49)23-76-47-42(70)39(67)37(65)29(20-59)78-47/h9,24,26-51,59-72H,10-23H2,1-8H3
C58H94O251191.351965300
5140828

26 of 32 defined stereocentres - 26/32 defined
InChI=1/C58H94O25/c1-23-44(80-47-40(69)34(63)27(60)21-74-47)38(67)42(71)48(76-23)79-33-13-14-55(7)30(54(33,5)6)12-15-56(8)31(55)11-10-25-26-18-53(3,4)16-17-58(26,32(62)19-57(25,56)9)52(73)83-51-46(35(64)28(61)22-75-51)82-49-43(72)39(68)45(24(2)77-49)81-50-41(70)37(66)36(65)29(20-59)78-50/h10,23-24,26-51,59-72H,11-22H2,1-9H3/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?,49?,50-,51-,55-,56+,57+,58+/m0/s1
C58H94O251191.3525300
341620

8 of 31 defined stereocentres - 8/31 defined
InChI=1/C58H94O25/c1-24-44(80-47-41(70)34(63)27(61)22-74-47)40(69)43(72)48(76-24)81-45-35(64)28(62)23-75-50(45)83-52(73)58-17-15-53(2,3)19-26(58)25-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-57(32,8)56(25,7)16-18-58)79-51-46(39(68)37(66)30(21-60)78-51)82-49-42(71)38(67)36(65)29(20-59)77-49/h9,24,26-51,59-72H,10-23H2,1-8H3/t24?,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?,55-,56+,57+,58-/m0/s1
C58H94O251191.3523200
2775088

0 of 31 defined stereocentres - 0/31 defined
InChI=1/C58H94O25/c1-24-44(80-47-41(70)34(63)27(61)22-74-47)40(69)43(72)48(76-24)81-45-35(64)28(62)23-75-50(45)83-52(73)58-17-15-53(2,3)19-26(58)25-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-57(32,8)56(25,7)16-18-58)79-51-46(39(68)37(66)30(21-60)78-51)82-49-42(71)38(67)36(65)29(20-59)77-49/h9,24,26-51,59-72H,10-23H2,1-8H3
C58H94O251191.351963200
10187675

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C58H94O25/c1-24-34(62)45(81-48-41(69)35(63)27(60)21-74-48)44(72)50(77-24)82-46-36(64)28(61)22-75-51(46)80-33-12-13-55(6)31(54(33,4)5)11-14-57(8)32(55)10-9-25-26-19-53(2,3)15-17-58(26,18-16-56(25,57)7)52(73)83-49-43(71)40(68)38(66)30(79-49)23-76-47-42(70)39(67)37(65)29(20-59)78-47/h9,24,26-51,59-72H,10-23H2,1-8H3/t24-,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-,55-,56+,57+,58-/m0/s1
C58H94O251191.3523300
17467031

4 of 31 defined stereocentres - 4/31 defined
InChI=1/C58H94O25/c1-24-34(62)45(81-48-41(69)35(63)27(60)21-74-48)44(72)50(77-24)82-46-36(64)28(61)22-75-51(46)80-33-12-13-55(6)31(54(33,4)5)11-14-57(8)32(55)10-9-25-26-19-53(2,3)15-17-58(26,18-16-56(25,57)7)52(73)83-49-43(71)40(68)38(66)30(79-49)23-76-47-42(70)39(67)37(65)29(20-59)78-47/h9,24,26-51,59-72H,10-23H2,1-8H3/t24?,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?,55-,56+,57+,58-/m0/s1
C58H94O251191.3523100
137472

0 of 32 defined stereocentres - 0/32 defined
InChI=1/C58H94O25/c1-23-34(63)37(66)40(69)48(76-23)81-45-28(61)22-74-47(43(45)72)80-44-24(2)77-49(42(71)39(44)68)82-46-35(64)27(60)21-75-51(46)83-52(73)58-17-16-53(3,4)18-26(58)25-10-11-31-55(7)14-13-33(79-50-41(70)38(67)36(65)29(20-59)78-50)54(5,6)30(55)12-15-56(31,8)57(25,9)19-32(58)62/h10,23-24,26-51,59-72H,11-22H2,1-9H3
C58H94O251191.3522200
3209692

0 of 32 defined stereocentres - 0/32 defined
InChI=1/C58H94O25/c1-23-44(80-47-40(69)34(63)27(60)21-74-47)38(67)42(71)48(76-23)79-33-13-14-55(7)30(54(33,5)6)12-15-56(8)31(55)11-10-25-26-18-53(3,4)16-17-58(26,32(62)19-57(25,56)9)52(73)83-51-46(35(64)28(61)22-75-51)82-49-43(72)39(68)45(24(2)77-49)81-50-41(70)37(66)36(65)29(20-59)78-50/h10,23-24,26-51,59-72H,11-22H2,1-9H3
C58H94O251191.3522100
3429185

0 of 31 defined stereocentres - 0/31 defined
InChI=1/C58H94O25/c1-24-34(61)45(81-48-42(69)35(62)27(59)20-75-48)44(71)50(77-24)82-46-36(63)28(60)21-76-51(46)80-33-12-13-55(6)31(54(33,4)5)11-14-57(8)32(55)10-9-25-26-19-53(2,3)15-17-58(26,18-16-56(25,57)7)52(73)83-49-43(70)40(67)38(65)30(79-49)23-74-22-29-37(64)39(66)41(68)47(72)78-29/h9,24,26-51,59-72H,10-23H2,1-8H3
C58H94O251191.351962100
23283202

30 of 32 defined stereocentres - 30/32 defined
InChI=1/C58H94O25/c1-23-44(80-47-40(69)34(63)27(60)21-74-47)38(67)42(71)48(76-23)79-33-13-14-55(7)30(54(33,5)6)12-15-56(8)31(55)11-10-25-26-18-53(3,4)16-17-58(26,32(62)19-57(25,56)9)52(73)83-51-46(35(64)28(61)22-75-51)82-49-43(72)39(68)45(24(2)77-49)81-50-41(70)37(66)36(65)29(20-59)78-50/h10,23-24,26-51,59-72H,11-22H2,1-9H3/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-,49-,50-,51?,55-,56+,57+,58+/m0/s1
C58H94O251191.3522200
28185048

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C58H94O25/c1-24(2)11-10-16-58(9,73)48-28(61)19-57(8)27-12-13-33-54(4,5)34(15-17-55(33,6)26(27)14-18-56(48,57)7)80-53-47(37(65)32(23-75-53)79-51-41(69)38(66)35(63)30(20-59)77-51)83-50-43(71)40(68)45(25(3)76-50)81-49-44(72)46(29(62)22-74-49)82-52-42(70)39(67)36(64)31(21-60)78-52/h14,25,27,29-53,59-60,62-73H,1,10-13,15-23H2,2-9H3/t25-,27-,29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44-,45-,46+,47-,48+,49+,50+,51+,52+,53+,55-,56-,57+,58+/m1/s1
C58H94O251191.3522200
30829620

31 of 32 defined stereocentres - 31/32 defined
InChI=1/C58H94O25/c1-23-35(63)38(66)41(69)48(75-23)81-45-27(60)18-34(80-47(45)72)79-44-24(2)76-49(43(71)40(44)68)82-46-36(64)28(61)22-74-51(46)83-52(73)58-17-16-53(3,4)19-26(58)25-10-11-31-55(7)14-13-33(78-50-42(70)39(67)37(65)29(21-59)77-50)54(5,6)30(55)12-15-56(31,8)57(25,9)20-32(58)62/h10,23-24,26-51,59-72H,11-22H2,1-9H3/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-,49?,50-,51+,55-,56+,57+,58+/m0/s1
C58H94O251191.3522200
8232700

32 of 32 defined stereocentres - 32/32 defined
InChI=1/C58H94O25/c1-24-34(62)39(67)43(71)48(77-24)81-45-37(65)29(61)21-75-50(45)80-33-12-13-54(5)31(55(33,6)23-59)11-14-57(8)32(54)10-9-26-27-19-53(3,4)15-17-58(27,18-16-56(26,57)7)52(73)83-51-46(82-49-44(72)40(68)35(63)25(2)78-49)41(69)38(66)30(79-51)22-76-47-42(70)36(64)28(60)20-74-47/h9,24-25,27-51,59-72H,10-23H2,1-8H3/t24-,25-,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-,54-,55-,56+,57+,58-/m0/s1
C58H94O251191.3522100
9449844

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C58H94O25/c1-37(38(62)73-13)27-50(4,46(70)81-24-21-59)29-57(11,47(71)82-25-22-60)36-58(12,48(72)83-26-23-61)35-56(10,45(69)80-20)34-55(9,44(68)79-19)33-54(8,43(67)78-18)32-53(7,42(66)77-17)31-52(6,41(65)76-16)30-51(5,40(64)75-15)28-49(2,3)39(63)74-14/h59-61H,1,21-36H2,2-20H3
C58H94O251191.3522100
9461285

29 of 31 defined stereocentres - 29/31 defined
InChI=1/C58H94O25/c1-24-34(62)45(81-48-41(69)35(63)27(60)21-74-48)44(72)50(77-24)82-46-36(64)28(61)22-75-51(46)80-33-12-13-55(6)31(54(33,4)5)11-14-57(8)32(55)10-9-25-26-19-53(2,3)15-17-58(26,18-16-56(25,57)7)52(73)83-49-43(71)40(68)38(66)30(79-49)23-76-47-42(70)39(67)37(65)29(20-59)78-47/h9,24,26-51,59-72H,10-23H2,1-8H3/t24-,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-,55-,56+,57+,58-/m0/s1
C58H94O251191.3522100
9621048

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C58H94O25/c1-24-34(62)45(81-47-41(69)38(66)30(23-75-47)79-48-42(70)39(67)36(64)28(20-59)77-48)44(72)50(76-24)82-46-35(63)27(61)22-74-51(46)80-33-12-13-55(6)31(54(33,4)5)11-14-57(8)32(55)10-9-25-26-19-53(2,3)15-17-58(26,18-16-56(25,57)7)52(73)83-49-43(71)40(68)37(65)29(21-60)78-49/h9,24,26-51,59-72H,10-23H2,1-8H3/t24-,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-,55-,56+,57+,58-/m0/s1
C58H94O251191.3522100
9632397

29 of 32 defined stereocentres - 29/32 defined
InChI=1/C58H94O25/c1-23-34(63)38(67)42(71)48(76-23)82-46-39(68)37(66)29(20-59)78-51(46)79-33-13-14-55(7)30(54(33,5)6)12-15-56(8)31(55)11-10-25-26-18-53(3,4)16-17-58(26,32(62)19-57(25,56)9)52(73)83-50-45(36(65)28(61)22-75-50)81-49-43(72)40(69)44(24(2)77-49)80-47-41(70)35(64)27(60)21-74-47/h10,23-24,26-51,59-72H,11-22H2,1-9H3/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-,49-,50-,51-,55-,56+,57+,58+/m0/s1
C58H94O251191.3522100
9993388

25 of 32 defined stereocentres - 25/32 defined
InChI=1/C58H94O25/c1-23-34(63)38(67)41(70)48(76-23)81-45-43(72)50(78-29(20-59)44(45)80-47-40(69)36(65)27(60)21-74-47)79-33-13-14-55(7)30(54(33,5)6)12-15-56(8)31(55)11-10-25-26-18-53(3,4)16-17-58(26,32(62)19-57(25,56)9)52(73)83-51-46(37(66)28(61)22-75-51)82-49-42(71)39(68)35(64)24(2)77-49/h10,23-24,26-51,59-72H,11-22H2,1-9H3/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-,49-,50-,51+,55?,56?,57+,58?/m0/s1
C58H94O251191.3522100
10142413

24 of 32 defined stereocentres - 24/32 defined
InChI=1/C58H94O25/c1-23-44(80-47-40(69)34(63)27(60)21-74-47)38(67)42(71)48(76-23)79-33-13-14-55(7)30(54(33,5)6)12-15-56(8)31(55)11-10-25-26-18-53(3,4)16-17-58(26,32(62)19-57(25,56)9)52(73)83-51-46(35(64)28(61)22-75-51)82-49-43(72)39(68)45(24(2)77-49)81-50-41(70)37(66)36(65)29(20-59)78-50/h10,23-24,26-51,59-72H,11-22H2,1-9H3/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+,49+,50+,51-,55?,56?,57?,58?/m1/s1
C58H94O251191.3522200
12

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