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: WJOIUSIIFAENIY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
77481608

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C43H69NO12/c1-10-30-17-24(2)16-25(3)18-36(53-8)39-37(54-9)20-27(5)43(51,56-39)40(48)41(49)44-15-11-12-31(23-44)42(50)55-38(28(6)33(46)22-34(30)47)26(4)19-29-13-14-32(45)35(21-29)52-7/h17,19,25,27-33,35-39,45-46,51H,10-16,18,20-23H2,1-9H3/b24-17-,26-19+/t25-,27+,28+,29-,30+,31+,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
C43H69NO12792.00755400
82963876

Double-bond stereo

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C43H69NO12/c1-10-30-17-24(2)16-25(3)18-36(53-8)39-37(54-9)20-27(5)43(51,56-39)40(48)41(49)44-15-11-12-31(23-44)42(50)55-38(28(6)33(46)22-34(30)47)26(4)19-29-13-14-32(45)35(21-29)52-7/h17,19,25,27-33,35-39,45-46,51H,10-16,18,20-23H2,1-9H3/b24-17+,26-19+/t25-,27+,28+,29-,30+,31+,32+,33-,35+,36?,37-,38?,39+,43+/m0/s1
C43H69NO12792.00751200
95506064

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C43H69NO12/c1-10-30-17-24(2)16-25(3)18-36(53-8)39-37(54-9)20-27(5)43(51,56-39)40(48)41(49)44-15-11-12-31(23-44)42(50)55-38(28(6)33(46)22-34(30)47)26(4)19-29-13-14-32(45)35(21-29)52-7/h17,19,25,27-33,35-39,45-46,51H,10-16,18,20-23H2,1-9H3/b24-17+,26-19+/t25-,27+,28+,29-,30+,31+,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
C43H69NO12792.00751100
113606760

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C43H69NO12/c1-10-30-17-24(2)16-25(3)18-36(53-8)39-37(54-9)20-27(5)43(51,56-39)40(48)41(49)44-15-11-12-31(23-44)42(50)55-38(28(6)33(46)22-34(30)47)26(4)19-29-13-14-32(45)35(21-29)52-7/h17,19,25,27-33,35-39,45-46,51H,10-16,18,20-23H2,1-9H3/b24-17-,26-19u/t25-,27+,28+,29+,30-,31+,32+,33-,35+,36-,37+,38+,39-,43+/m0/s1
C43H69NO12792.00751100
128948909

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C43H69NO12/c1-10-30-17-24(2)16-25(3)18-36(53-8)39-37(54-9)20-27(5)43(51,56-39)40(48)41(49)44-15-11-12-31(23-44)42(50)55-38(28(6)33(46)22-34(30)47)26(4)19-29-13-14-32(45)35(21-29)52-7/h17,19,25,27-33,35-39,45-46,51H,10-16,18,20-23H2,1-9H3/b24-17+,26-19u/t25-,27+,28+,29-,30+,31+,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
C43H69NO12792.00751200

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