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: XFCSYQCYIKSNBB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9710065

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-41-38(64-39-36(55)34(53)31(50)22(3)60-39)33(52)26(19-59-41)62-40-37(56)35(54)32(51)25(18-48)61-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,57,58)/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39-,40-,41-,43-,44-,45+,46+,47-/m0/s1
C47H76O17913.0961141100
30773377

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-41-38(64-39-36(55)34(53)31(50)22(3)60-39)33(52)26(19-59-41)62-40-37(56)35(54)32(51)25(18-48)61-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,57,58)/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31-,32+,33+,34+,35-,36+,37+,38+,39-,40-,41-,43-,44-,45+,46+,47-/m0/s1
C47H76O17913.09612100
82965907

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-41-38(64-39-36(55)34(53)31(50)22(3)60-39)33(52)26(19-59-41)62-40-37(56)35(54)32(51)25(18-48)61-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,57,58)/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31-,32+,33+,34+,35-,36+,37+,38+,39-,40-,41-,43-,44-,45+,46+,47-/m1/s1
C47H76O17913.09612100
113608546

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-41-38(64-39-36(55)34(53)31(50)22(3)60-39)33(52)26(19-59-41)62-40-37(56)35(54)32(51)25(18-48)61-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,57,58)/t22-,23-,24-,25+,26-,27-,28+,29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,43-,44-,45+,46+,47+/m0/s1
C47H76O17913.09611100

Advertisement