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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 4 results

Search term: C48H74O17 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28510330

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C48H74O17/c1-19(2)27-23-18-48(43(58)61-23)17-16-46(8)22(28(27)48)10-11-25-45(7)14-13-26(44(5,6)24(45)12-15-47(25,46)9)62-42-38(65-41-34(54)32(52)30(50)21(4)60-41)36(35(55)37(64-42)39(56)57)63-40-33(53)31(51)29(49)20(3)59-40/h20-38,40-42,49-55H,1,10-18H2,2-9H3,(H,56,57)/t20-,21-,22+,23-,24-,25+,26-,27+,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,40-,41-,42+,45-,46+,47+,48+/m0/s1
C48H74O17923.0912200
71044140

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C48H74O17/c1-22-32(52)25(51)17-31(60-22)62-30-19-43(2,3)18-24-23-9-10-28-45(5)13-12-29(46(6,21-50)27(45)11-14-48(28,8)47(23,7)16-15-44(24,30)4)63-42-39(36(56)35(55)38(64-42)40(58)59)65-41-37(57)34(54)33(53)26(20-49)61-41/h9,24,26-31,33-39,41-42,49-50,52-57H,10-21H2,1-8H3,(H,58,59)/t24-,26+,27?,28?,29-,30+,31+,33+,34-,35-,36-,37+,38-,39+,41-,42+,44+,45-,46+,47+,48+/m0/s1
C48H74O17923.0911300
71044141

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C48H74O17/c1-22-32(52)25(51)17-31(60-22)62-30-19-43(2,3)18-24-23-9-10-28-45(5)13-12-29(46(6,21-50)27(45)11-14-48(28,8)47(23,7)16-15-44(24,30)4)63-42-39(36(56)35(55)38(64-42)40(58)59)65-41-37(57)34(54)33(53)26(20-49)61-41/h9,24,26-31,33-39,41-42,49-50,52-57H,10-21H2,1-8H3,(H,58,59)/t24-,26+,27?,28?,29-,30+,31+,33-,34-,35-,36-,37+,38-,39+,41-,42+,44+,45-,46+,47+,48+/m0/s1
C48H74O17923.0911300
71044165

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C48H74O17/c1-22-38(64-41-36(56)33(53)32(52)26(20-49)61-41)25(51)17-31(60-22)62-30-19-43(2,3)18-24-23-9-10-28-45(5)13-12-29(63-42-37(57)34(54)35(55)39(65-42)40(58)59)46(6,21-50)27(45)11-14-48(28,8)47(23,7)16-15-44(24,30)4/h9,24,26-37,39,41-42,49-50,52-57H,10-21H2,1-8H3,(H,58,59)/t24-,26+,27?,28?,29-,30+,31+,32+,33-,34-,35-,36+,37+,39-,41-,42+,44+,45-,46+,47+,48+/m0/s1
C48H74O17923.0911100

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