Matches any text strings used to describe a molecule.
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 5 results

Search term: BTTRQTJYXLOSMR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
434581

0 of 24 defined stereocentres - 0/24 defined
InChI=1/C47H76O18/c1-21(48)61-34-25(52)19-60-40(35(34)64-39-33(56)31(54)24(51)18-59-39)63-28-10-12-47-20-46(47)14-13-43(6)36(45(8)11-9-29(65-45)42(4,5)57)22(49)16-44(43,7)27(46)15-26(37(47)41(28,2)3)62-38-32(55)30(53)23(50)17-58-38/h22-40,49-57H,9-20H2,1-8H3
C47H76O18929.09554300
345807

10 of 24 defined stereocentres - 10/24 defined
InChI=1/C47H76O18/c1-21(48)61-34-25(52)19-60-40(35(34)64-39-33(56)31(54)24(51)18-59-39)63-28-10-12-47-20-46(47)14-13-43(6)36(45(8)11-9-29(65-45)42(4,5)57)22(49)16-44(43,7)27(46)15-26(37(47)41(28,2)3)62-38-32(55)30(53)23(50)17-58-38/h22-40,49-57H,9-20H2,1-8H3/t22-,23?,24?,25?,26-,27?,28-,29-,30?,31?,32?,33?,34?,35?,36?,37-,38?,39?,40?,43+,44-,45+,46-,47+/m0/s1
C47H76O18929.09553200
23264715

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H76O18/c1-21(48)61-34-25(52)19-60-40(35(34)64-39-33(56)31(54)24(51)18-59-39)63-28-10-12-47-20-46(47)14-13-43(6)36(45(8)11-9-29(65-45)42(4,5)57)22(49)16-44(43,7)27(46)15-26(37(47)41(28,2)3)62-38-32(55)30(53)23(50)17-58-38/h22-40,49-57H,9-20H2,1-8H3/t22-,23+,24-,25+,26-,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,43+,44-,45+,46-,47+/m0/s1
C47H76O18929.09553300
9760826

19 of 24 defined stereocentres - 19/24 defined
InChI=1/C47H76O18/c1-21(48)61-34-25(52)19-60-40(35(34)64-39-33(56)31(54)24(51)18-59-39)63-28-10-12-47-20-46(47)14-13-43(6)36(45(8)11-9-29(65-45)42(4,5)57)22(49)16-44(43,7)27(46)15-26(37(47)41(28,2)3)62-38-32(55)30(53)23(50)17-58-38/h22-40,49-57H,9-20H2,1-8H3/t22?,23-,24-,25+,26-,27?,28?,29-,30+,31-,32-,33+,34-,35+,36?,37?,38+,39-,40-,43+,44-,45+,46-,47+/m0/s1
C47H76O18929.09552100
17468807

10 of 24 defined stereocentres - 10/24 defined
InChI=1/C47H76O18/c1-21(48)61-34-25(52)19-60-40(35(34)64-39-33(56)31(54)24(51)18-59-39)63-28-10-12-47-20-46(47)14-13-43(6)36(45(8)11-9-29(65-45)42(4,5)57)22(49)16-44(43,7)27(46)15-26(37(47)41(28,2)3)62-38-32(55)30(53)23(50)17-58-38/h22-40,49-57H,9-20H2,1-8H3/t22-,23?,24?,25?,26-,27-,28-,29-,30?,31?,32?,33?,34?,35?,36-,37?,38?,39?,40?,43+,44-,45?,46-,47+/m0/s1
C47H76O18929.09551100

Advertisement