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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
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Found 12 results

Search term: C37H59NO12 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2300884

16 of 19 defined stereocentres - 16/19 defined
InChI=1/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,22+,23?,24-,25-,26+,27+,28+,29-,32-,33-,34+,35?,36?,37-/m0/s1
C37H59NO12709.8638599999982200
3045153

0 of 19 defined stereocentres - 0/19 defined
InChI=1/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3
C37H59NO12709.8638599999982100
4423246

Double-bond stereo

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C37H59NO12/c1-10-28-21(4)35-37(7,50-35)15-13-25(40)19(2)17-24(14-16-39)33(20(3)27(42)18-29(43)47-28)49-36-32(44)31(38(8)9)34(23(6)46-36)48-30-12-11-26(41)22(5)45-30/h13,15-16,19-24,27-28,30-36,42,44H,10-12,14,17-18H2,1-9H3
C37H59NO12709.8638599999982100
4885015

17 of 19 defined stereocentres - 17/19 defined
InChI=1/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,22+,23-,24-,25?,26+,27+,28+,29-,32-,33-,34+,35+,36-,37?/m0/s1
C37H59NO12709.86392200
8115638

8 of 19 defined stereocentres - 8/19 defined
InChI=1/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17?,18-,19-,20?,21?,22-,23?,24?,25+,26?,27-,28?,29+,32?,33+,34?,35?,36?,37+/m1/s1
C37H59NO12709.86392100
23258385

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C37H59NO12/c1-8-10-11-12-15-19-27(41)47-31-29-28(23(4)30(31)48-33(42)22(3)9-2)32-37(45,36(7,44)34(43)49-32)25(21-35(29,6)50-24(5)39)46-26(40)18-16-13-14-17-20-38/h9,25,29-32,34,43-45H,8,10-21,38H2,1-7H3/b22-9-/t25-,29+,30-,31-,32-,34-,35-,36+,37+/m0/s1
C37H59NO12709.86392200
52084152

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,32-,33+,34+,35+,36-,37+/m0/s1
C37H59NO12709.86392200
64853956

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,32-,33+,34+,35+,36-,37-/m0/s1
C37H59NO12709.86391200
32766369

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C37H59NO12/c1-6-7-8-9-10-11-12-13-14-18-21-42-29-28(46-34-31(29)48-37(4,5)50-34)26(44-35(41)38-24-19-16-15-17-20-24)23-43-33-32-30(47-36(2,3)49-32)27(45-33)25(40)22-39/h15-17,19-20,25-34,39-40H,6-14,18,21-23H2,1-5H3,(H,38,41)
C37H59NO12709.86391100
17461852

5 of 19 defined stereocentres - 5/19 defined
InChI=1/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29-,32?,33?,34?,35+,36-,37-/m0/s1
C37H59NO12709.86391100

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