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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 23 results

Search term: C44H70O22 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24606168

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,41+,42+,43+,44-/m0/s1
C44H70O22951.0134333700
34451131

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,41+,42+,43-,44+/m0/s1
C44H70O22951.0134151300
28536939

24 of 26 defined stereocentres - 24/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22?,23?,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37-,38-,39-,41+,42+,43+,44-/m0/s1
C44H70O22951.013414900
77480539

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1
C44H70O22951.01347500
81422647

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,41-,42-,43?,44+/m1/s1
C44H70O22951.01345400
2342212

23 of 26 defined stereocentres - 23/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19-,20-,21-,22?,23?,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37+,38?,39+,41-,42-,43-,44+/m1/s1
C44H70O22951.0134000000014500
17472296

23 of 26 defined stereocentres - 23/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19-,20+,21-,22?,23?,24-,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38?,39+,41+,42+,43-,44+/m0/s1
C44H70O22951.01344100
71041974

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,41+,42+,43?,44-/m0/s1
C44H70O22951.01344300
65047842

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,41+,42+,43?,44-/m0/s1
C44H70O22951.01343200
23334891

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)26(50)20(14-46)61-37)23(43)7-11-44(17,16-43)66-39-35(30(54)24(48)18(2)59-39)64-38-33(57)34(27(51)21(15-47)62-38)63-36-31(55)28(52)25(49)19(13-45)60-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1
C44H70O22951.01342200
8008635

23 of 26 defined stereocentres - 23/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19-,20-,21-,22?,23?,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38?,39+,41-,42-,43-,44+/m1/s1
C44H70O22951.01342100
8116799

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O22/c1-18-12-43-9-5-24-41(2,7-4-8-42(24,3)40(58)65-38-34(57)32(55)29(52)22(15-47)61-38)25(43)6-10-44(18,17-43)66-39-36(64-37-33(56)31(54)28(51)21(14-46)60-37)35(30(53)23(16-48)62-39)63-26-11-19(49)27(50)20(13-45)59-26/h19-39,45-57H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39+,41-,42-,43-,44+/m1/s1
C44H70O22951.01342100
82964515

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,41+,42+,43?,44-/m1/s1
C44H70O22951.01342100
113607112

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21-,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39-,41-,42-,43+,44-/m0/s1
C44H70O22951.01341100
113608956

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,41+,42+,43?,44+/m0/s1
C44H70O22951.01341100
113610224

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,41-,42-,43?,44-/m1/s1
C44H70O22951.01341100
114391427

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20-,21-,22+,23-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,41+,42+,43-,44-/m0/s1
C44H70O22951.01341100
114546221

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,41-,42-,43-,44+/m0/s1
C44H70O22951.01341100
114816158

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39+,41+,42+,43+,44+/m0/s1
C44H70O22951.01341100
129309156

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-34(30(54)26(50)20(14-46)61-38)63-36-32(56)28(52)24(48)18(2)59-36)23(43)7-11-44(17,16-43)66-39-35(31(55)27(51)21(15-47)62-39)64-37-33(57)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,41+,42+,43+,44-/m0/s1
C44H70O22951.01341100
12

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