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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 39 results

Search term: C51H82O23 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8709542

28 of 29 defined stereocentres - 28/29 defined
InChI=1/C51H82O23/c1-20(19-66-46-40(62)39(61)36(58)30(17-52)71-46)7-10-32(55)70-29-16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,6)33(29)21(2)54)69-49-45(74-48-42(64)38(60)35(57)23(4)68-48)43(65)44(31(18-53)72-49)73-47-41(63)37(59)34(56)22(3)67-47/h8,20,22-23,25-31,33-49,52-53,56-65H,7,9-19H2,1-6H3/t20?,22-,23-,25-,26+,27-,28-,29-,30+,31+,33-,34-,35-,36+,37+,38+,39-,40+,41+,42+,43-,44+,45+,46+,47-,48-,49+,50-,51-/m0/s1
C51H82O231063.1835400
9290918

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C51H82O23/c1-21(2)7-10-29(54)22(3)51(65)34(73-48-44(69-23(4)53)43(31(56)19-67-48)74-46-40(62)35(57)30(55)18-66-46)16-28-26-9-8-24-15-25(11-13-49(24,5)27(26)12-14-50(28,51)6)70-47-42(64)39(61)37(59)33(72-47)20-68-45-41(63)38(60)36(58)32(17-52)71-45/h8,21-22,25-28,30-48,52,55-65H,7,9-20H2,1-6H3/t22-,25+,26-,27+,28+,30-,31+,32-,33-,34+,35+,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47-,48+,49+,50+,51-/m1/s1
C51H82O231063.1835400
29814005

29 of 31 defined stereocentres - 29/31 defined
InChI=1/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-39(62)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(37(60)34(57)29(17-53)69-47)72-46-41(64)38(61)42(30(18-54)70-46)71-45-40(63)35(58)32(55)21(2)66-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20?,21-,23-,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-/m0/s1
C51H82O231063.1835300
30785736

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,19-55)74-51)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)66-47-43(72-44-37(61)35(59)32(56)21(2)65-44)39(63)41(30(18-54)69-47)70-46-40(64)42(34(58)29(17-53)68-46)71-45-38(62)36(60)33(57)28(16-52)67-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21-,23-,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-/m0/s1
C51H82O231063.1834500
234996

0 of 31 defined stereocentres - 0/31 defined
InChI=1/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-46-40(63)37(60)34(57)29(17-53)69-46)41(64)42(30(18-54)70-47)71-45-39(62)35(58)32(55)21(2)66-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3
C51H82O231063.1834300
434971

0 of 29 defined stereocentres - 0/29 defined
InChI=1/C51H82O23/c1-20(19-66-46-40(62)39(61)36(58)30(17-52)71-46)7-10-32(55)70-29-16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,6)33(29)21(2)54)69-49-45(74-48-42(64)38(60)35(57)23(4)68-48)43(65)44(31(18-53)72-49)73-47-41(63)37(59)34(56)22(3)67-47/h8,20,22-23,25-31,33-49,52-53,56-65H,7,9-19H2,1-6H3
C51H82O231063.1834300
29368596

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-45-39(62)35(58)32(55)21(2)66-45)41(64)42(30(18-54)70-47)71-46-40(63)37(60)34(57)29(17-53)69-46/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21-,23-,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-/m0/s1
C51H82O231063.1834500
2342192

26 of 31 defined stereocentres - 26/31 defined
InChI=1/C51H82O23/c1-20-7-12-51(65-19-20)21(2)32-27(74-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)66-47-40(63)43(34(57)29(16-53)68-47)73-46-39(62)37(60)42(31(18-55)70-46)71-48-41(64)44(35(58)30(17-54)69-48)72-45-38(61)36(59)33(56)28(15-52)67-45/h5,20-21,23-48,52-64H,6-19H2,1-4H3/t20-,21+,23+,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-/m1/s1
C51H82O231063.182983300
390453

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-46-40(63)37(60)34(57)29(17-53)69-46)41(64)42(30(18-54)70-47)71-45-39(62)35(58)32(55)21(2)66-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21-,23-,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-/m0/s1
C51H82O231063.1833300
9193779

32 of 32 defined stereocentres - 32/32 defined
InChI=1/C51H82O23/c1-19-8-11-51(65-18-19)20(2)32-27(74-51)13-26-24-7-6-22-12-23(9-10-49(22,4)25(24)14-31(55)50(26,32)5)67-46-40(63)38(61)42(30(17-54)70-46)71-48-44(37(60)34(57)28(15-52)69-48)73-47-41(64)43(35(58)29(16-53)68-47)72-45-39(62)36(59)33(56)21(3)66-45/h19-30,32-48,52-54,56-64H,6-18H2,1-5H3/t19-,20+,21+,22+,23+,24-,25+,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-/m1/s1
C51H82O231063.1833200
139863

30 of 31 defined stereocentres - 30/31 defined
InChI=1/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-39(62)37(60)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-45-40(63)36(59)32(55)21(2)66-45)42(35(58)30(18-54)70-47)71-46-41(64)38(61)34(57)29(17-53)69-46/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21-,23-,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-/m0/s1
C51H82O231063.1832200
9403597

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C51H82O23/c1-20(19-67-46-41(64)39(62)35(58)30(16-52)70-46)6-9-28(55)21(2)33-29(56)15-27-25-8-7-23-14-24(10-12-50(23,4)26(25)11-13-51(27,33)5)69-49-45(74-47-42(65)38(61)34(57)22(3)68-47)44(37(60)32(18-54)72-49)73-48-43(66)40(63)36(59)31(17-53)71-48/h7,20-22,24-27,30-49,52-54,57-66H,6,8-19H2,1-5H3/t20-,21-,22+,24+,25-,26+,27+,30-,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,47+,48+,49-,50+,51+/m1/s1
C51H82O231063.1832100
10142696

30 of 31 defined stereocentres - 30/31 defined
InChI=1/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-46-40(63)37(60)34(57)29(17-53)69-46)41(64)42(30(18-54)70-47)71-45-39(62)35(58)32(55)21(2)66-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21+,23?,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-/m0/s1
C51H82O231063.1832200
25056358

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C51H82O23/c1-19(18-66-45-40(62)37(59)34(56)30(16-52)70-45)9-12-51(65)20(2)32-29(74-51)14-26-24-8-7-23-13-28(27(54)15-50(23,6)25(24)10-11-49(26,32)5)69-48-44(38(60)35(57)31(17-53)71-48)73-47-42(64)39(61)43(22(4)68-47)72-46-41(63)36(58)33(55)21(3)67-46/h7,19-22,24-26,28-48,52-53,55-65H,8-18H2,1-6H3/t19-,20-,21-,22-,24+,25-,26-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,43-,44+,45+,46-,47-,48+,49-,50-,51+/m0/s1
C51H82O231063.1832200
29213271

18 of 28 defined stereocentres - 18/28 defined
InChI=1/C51H82O23/c1-20(2)21(3)6-7-22(15-52)26-14-27(56)33-23-8-9-25-34(58)29(11-13-50(25,4)24(23)10-12-51(26,33)5)68-48-42(66)44(43(32(18-55)71-48)72-46-40(64)38(62)36(60)30(16-53)69-46)73-49-45(35(59)28(57)19-67-49)74-47-41(65)39(63)37(61)31(17-54)70-47/h9,20,22-24,26,28-49,52-55,57-66H,3,6-8,10-19H2,1-2,4-5H3/t22-,23+,24-,26+,28+,29-,30-,31?,32?,33+,34+,35?,36-,37-,38?,39?,40?,41?,42?,43+,44?,45?,46-,47+,48+,49-,50+,51+/m0/s1
C51H82O231063.1832200
8757344

31 of 32 defined stereocentres - 31/32 defined
InChI=1/C51H82O23/c1-19-8-13-51(65-18-19)20(2)29-42(74-51)34(58)30-24-7-6-22-14-23(9-11-49(22,4)25(24)10-12-50(29,30)5)67-47-44(73-45-38(62)35(59)31(55)21(3)66-45)40(64)41(28(17-54)70-47)71-48-43(37(61)33(57)27(16-53)69-48)72-46-39(63)36(60)32(56)26(15-52)68-46/h6,19-21,23-48,52-64H,7-18H2,1-5H3/t19-,20-,21-,23-,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?/m0/s1
C51H82O231063.1832100
8947779

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C51H82O23/c1-20-32-28(74-51(20)12-7-22(15-52)19-65-51)14-27-25-6-5-23-13-24(8-10-49(23,3)26(25)9-11-50(27,32)4)67-48-44(40(63)42(31(18-55)70-48)71-45-38(61)36(59)34(57)29(16-53)68-45)73-47-41(64)43(33(56)21(2)66-47)72-46-39(62)37(60)35(58)30(17-54)69-46/h5,20-22,24-48,52-64H,6-19H2,1-4H3/t20-,21-,22-,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+/m0/s1
C51H82O231063.1832100
5144642

8 of 29 defined stereocentres - 8/29 defined
InChI=1/C51H82O23/c1-20(19-66-46-40(62)39(61)36(58)30(17-52)71-46)7-10-32(55)70-29-16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,6)33(29)21(2)54)69-49-45(74-48-42(64)38(60)35(57)23(4)68-48)43(65)44(31(18-53)72-49)73-47-41(63)37(59)34(56)22(3)67-47/h8,20,22-23,25-31,33-49,52-53,56-65H,7,9-19H2,1-6H3/t20?,22?,23?,25-,26+,27-,28-,29-,30?,31?,33+,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50-,51-/m0/s1
C51H82O231063.1832100
8164275

26 of 31 defined stereocentres - 26/31 defined
InChI=1/C51H82O23/c1-20-7-12-51(65-19-20)21(2)32-27(74-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)66-47-40(63)43(34(57)29(16-53)68-47)73-46-39(62)37(60)42(31(18-55)70-46)71-48-41(64)44(35(58)30(17-54)69-48)72-45-38(61)36(59)33(56)28(15-52)67-45/h5,20-21,23-48,52-64H,6-19H2,1-4H3/t20-,21+,23+,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-/m1/s1
C51H82O231063.1832100
8571774

28 of 29 defined stereocentres - 28/29 defined
InChI=1/C51H82O23/c1-20(19-66-46-40(62)39(61)36(58)30(17-52)71-46)7-10-32(55)70-29-16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,6)33(29)21(2)54)69-49-45(74-48-42(64)38(60)35(57)23(4)68-48)43(65)44(31(18-53)72-49)73-47-41(63)37(59)34(56)22(3)67-47/h8,20,22-23,25-31,33-49,52-53,56-65H,7,9-19H2,1-6H3/t20-,22-,23-,25-,26+,27?,28-,29-,30+,31+,33-,34-,35-,36+,37+,38+,39-,40+,41+,42+,43-,44+,45+,46-,47-,48-,49+,50-,51-/m0/s1
C51H82O231063.1832100
12

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