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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 18 results

Search term: C43H70O16 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9248060

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C43H70O16/c1-20-10-26(20)33-14-24-12-29(58-42-40(50-8)38(48-6)28(44)18-52-42)22(3)31(54-24)16-36(45)57-34(27-11-21(27)2)15-25-13-30(23(4)32(55-25)17-37(46)56-33)59-43-41(51-9)39(49-7)35(47-5)19-53-43/h20-35,38-44H,10-19H2,1-9H3/t20-,21-,22+,23+,24-,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35+,38-,39-,40+,41+,42-,43-/m0/s1
C43H70O16843.00636500
9910224

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C43H70O16/c1-20-10-26(20)32-14-24-12-28(58-42-38(46)39(49-7)34(47-5)18-52-42)22(3)30(54-24)16-36(44)57-33(27-11-21(27)2)15-25-13-29(23(4)31(55-25)17-37(45)56-32)59-43-41(51-9)40(50-8)35(48-6)19-53-43/h20-35,38-43,46H,10-19H2,1-9H3/t20-,21-,22+,23+,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35+,38+,39-,40-,41+,42-,43-/m0/s1
C43H70O16843.00636521
28284512

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C43H70O16/c1-20-10-26(20)32-14-24-12-28(58-42-38(46)39(49-7)34(47-5)18-52-42)22(3)30(54-24)16-36(44)57-33(27-11-21(27)2)15-25-13-29(23(4)31(55-25)17-37(45)56-32)59-43-41(51-9)40(50-8)35(48-6)19-53-43/h20-35,38-43,46H,10-19H2,1-9H3/t20-,21-,22-,23-,24+,25+,26-,27-,28+,29+,30+,31+,32+,33+,34-,35-,38-,39+,40+,41-,42+,43+/m1/s1
C43H70O16843.00635500
9989490

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C43H70O16/c1-21-10-28(21)32-15-25-12-24(56-42-40(50-8)38(48-6)34(46-4)19-52-42)13-26(54-25)17-36(44)57-33(29-11-22(29)2)16-27-14-30(23(3)31(55-27)18-37(45)58-32)59-43-41(51-9)39(49-7)35(47-5)20-53-43/h21-35,38-43H,10-20H2,1-9H3/t21-,22-,23+,24-,25-,26+,27-,28-,29-,30-,31-,32-,33-,34+,35+,38-,39-,40+,41+,42-,43-/m0/s1
C43H70O16843.00634312
28285126

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C43H70O16/c1-21-10-28(21)32-15-25-12-24(56-42-40(50-8)38(48-6)34(46-4)19-52-42)13-26(54-25)17-36(44)57-33(29-11-22(29)2)16-27-14-30(23(3)31(55-27)18-37(45)58-32)59-43-41(51-9)39(49-7)35(47-5)20-53-43/h21-35,38-43H,10-20H2,1-9H3/t21-,22-,23-,24+,25+,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,38+,39+,40-,41-,42+,43+/m1/s1
C43H70O16843.00633300
29213130

18 of 22 defined stereocentres - 18/22 defined
InChI=1/C43H70O16/c1-20-10-26(20)33-14-24-12-29(58-42-40(50-8)38(48-6)28(44)18-52-42)22(3)31(54-24)16-36(45)57-34(27-11-21(27)2)15-25-13-30(23(4)32(55-25)17-37(46)56-33)59-43-41(51-9)39(49-7)35(47-5)19-53-43/h20-35,38-44H,10-19H2,1-9H3/t20-,21-,22+,23+,24-,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35+,38?,39?,40?,41?,42-,43-/m0/s1
C43H70O16843.00632200
29213131

17 of 21 defined stereocentres - 17/21 defined
InChI=1/C43H70O16/c1-21-10-28(21)32-15-25-12-24(56-42-40(50-8)38(48-6)34(46-4)19-52-42)13-26(54-25)17-36(44)57-33(29-11-22(29)2)16-27-14-30(23(3)31(55-27)18-37(45)58-32)59-43-41(51-9)39(49-7)35(47-5)20-53-43/h21-35,38-43H,10-20H2,1-9H3/t21-,22-,23+,24-,25-,26+,27-,28-,29-,30-,31-,32-,33-,34+,35+,38?,39?,40?,41?,42-,43-/m0/s1
C43H70O16843.00632200
130783

0 of 25 defined stereocentres - 0/25 defined
InChI=1/C43H70O16/c1-19-7-12-43(55-15-19)20(2)30-28(59-43)14-25-23-6-5-21-13-22(8-10-41(21,3)24(23)9-11-42(25,30)4)56-40-36(51)33(48)37(58-39-35(50)32(47)27(45)17-53-39)29(57-40)18-54-38-34(49)31(46)26(44)16-52-38/h19-40,44-51H,5-18H2,1-4H3
C43H70O16843.00632200
10142550

10 of 21 defined stereocentres - 10/21 defined
InChI=1/C43H70O16/c1-38(2)12-13-43(37(54)55-7)21(14-38)20-8-9-26-39(3)15-22(47)34(40(4,19-46)25(39)10-11-41(26,5)42(20,6)16-27(43)48)59-36-32(53)33(29(50)24(18-45)57-36)58-35-31(52)30(51)28(49)23(17-44)56-35/h8,21-36,44-53H,9-19H2,1-7H3/t21?,22?,23-,24-,25?,26?,27?,28-,29-,30+,31-,32-,33+,34?,35+,36+,39?,40?,41?,42?,43?/m1/s1
C43H70O16843.00632200
4478725

13 of 25 defined stereocentres - 13/25 defined
InChI=1/C43H70O16/c1-19-7-12-43(53-17-19)20(2)31-28(59-43)14-25-23-6-5-21-13-22(8-10-41(21,3)24(23)9-11-42(25,31)4)54-39-35(50)33(48)30(18-52-39)56-37-26(45)15-27(46)38(57-37)58-40-36(51)34(49)32(47)29(16-44)55-40/h19-40,44-51H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26-,27+,28?,29-,30+,31?,32-,33-,34-,35-,36-,37-,38-,39+,40+,41?,42?,43?/m1/s1
C43H70O16843.00632200
8209041

19 of 22 defined stereocentres - 19/22 defined
InChI=1/C43H70O16/c1-19-15-22(33(38(5,6)52)55-20(2)45)59-43(53)32(19)39(7)13-14-42-18-41(42)12-11-26(57-34-30(50)27(47)21(46)17-54-34)37(3,4)24(41)9-10-25(42)40(39,8)36(43)58-35-31(51)29(49)28(48)23(16-44)56-35/h19,21-36,44,46-53H,9-18H2,1-8H3/t19-,21+,22-,23-,24?,25?,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,39-,40-,41-,42+,43?/m1/s1
C43H70O16843.00632100
8254777

19 of 22 defined stereocentres - 19/22 defined
InChI=1/C43H70O16/c1-19-15-22(33(38(5,6)52)55-20(2)45)59-43(53)32(19)39(7)13-14-42-18-41(42)12-11-26(57-34-30(50)27(47)21(46)17-54-34)37(3,4)24(41)9-10-25(42)40(39,8)36(43)58-35-31(51)29(49)28(48)23(16-44)56-35/h19,21-36,44,46-53H,9-18H2,1-8H3/t19-,21-,22-,23-,24?,25?,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,39-,40-,41-,42+,43?/m1/s1
C43H70O16843.00632100
8526021

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C43H70O16/c1-20-10-26(20)33-14-24-12-29(58-42-40(50-8)38(48-6)28(44)18-52-42)22(3)31(54-24)16-36(45)57-34(27-11-21(27)2)15-25-13-30(23(4)32(55-25)17-37(46)56-33)59-43-41(51-9)39(49-7)35(47-5)19-53-43/h20-35,38-44H,10-19H2,1-9H3/t20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30+,31+,32+,33+,34+,35-,38+,39+,40-,41-,42+,43+/m1/s1
C43H70O16843.00632100
9051890

19 of 22 defined stereocentres - 19/22 defined
InChI=1/C43H70O16/c1-20-21(14-26(47)40(6,53)19-46)59-43(54-7)17-39(5)25-9-8-24-37(2,3)27(10-11-41(24)18-42(25,41)13-12-38(39,4)34(20)43)57-36-33(31(51)29(49)23(16-45)56-36)58-35-32(52)30(50)28(48)22(15-44)55-35/h20-25,27-36,44-46,48-53H,8-19H2,1-7H3/t20-,21+,22-,23-,24?,25+,27+,28-,29-,30+,31+,32-,33-,34?,35+,36+,38-,39+,40?,41-,42+,43+/m1/s1
C43H70O16843.00632100
17614330

20 of 25 defined stereocentres - 20/25 defined
InChI=1/C43H70O16/c1-19-7-12-43(54-16-19)20(2)30-28(59-43)14-25-23-6-5-21-13-22(8-10-41(21,3)24(23)9-11-42(25,30)4)55-40-37(58-39-34(50)32(48)27(46)18-53-39)35(51)36(29(15-44)56-40)57-38-33(49)31(47)26(45)17-52-38/h19-40,44-51H,5-18H2,1-4H3/t19-,20?,21+,22-,23?,24?,25-,26+,27+,28?,29+,30?,31-,32-,33+,34+,35-,36+,37+,38-,39-,40+,41-,42-,43+/m0/s1
C43H70O16843.00631100
552675

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C43H70O16/c1-20-10-26(20)33-14-24-12-29(58-42-40(50-8)38(48-6)28(44)18-52-42)22(3)31(54-24)16-36(45)57-34(27-11-21(27)2)15-25-13-30(23(4)32(55-25)17-37(46)56-33)59-43-41(51-9)39(49-7)35(47-5)19-53-43/h20-35,38-44H,10-19H2,1-9H3/t20-,21-,22+,23+,24-,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35-,38+,39-,40+,41+,42-,43+/m0/s1
C43H70O16843.00631100
58838613

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C43H70O16/c1-20-10-26(20)33-14-24-12-29(58-42-40(50-8)38(48-6)28(44)18-52-42)22(3)31(54-24)16-36(45)57-34(27-11-21(27)2)15-25-13-30(23(4)32(55-25)17-37(46)56-33)59-43-41(51-9)39(49-7)35(47-5)19-53-43/h20-35,38-44H,10-19H2,1-9H3/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29+,30+,31+,32+,33+,34+,35-,38+,39+,40-,41-,42+,43+/m1/s1
C43H70O16843.00631100
129308952

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C43H70O16/c1-19-7-12-43(55-15-19)20(2)30-28(59-43)14-25-23-6-5-21-13-22(8-10-41(21,3)24(23)9-11-42(25,30)4)56-40-36(51)33(48)37(58-39-35(50)32(47)27(45)17-53-39)29(57-40)18-54-38-34(49)31(46)26(44)16-52-38/h19-40,44-51H,5-18H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40+,41-,42-,43+/m0/s1
C43H70O16843.00631100

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