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: JDBGPLZPTBGQMX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8072731

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C40H76N2O12/c1-15-17-41-30-21(3)19-38(9,47)35(54-37-31(43)27(42(12)13)18-22(4)50-37)24(6)32(53-29-20-39(10,49-14)34(45)26(8)51-29)25(7)36(46)52-28(16-2)40(11,48)33(44)23(30)5/h21-35,37,41,43-45,47-48H,15-20H2,1-14H3/t21-,22-,23+,24+,25-,26+,27+,28-,29+,30+,31-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1
C40H76N2O12777.03769800
79508

0 of 19 defined stereocentres - 0/19 defined
InChI=1/C40H76N2O12/c1-15-17-41-30-21(3)19-38(9,47)35(54-37-31(43)27(42(12)13)18-22(4)50-37)24(6)32(53-29-20-39(10,49-14)34(45)26(8)51-29)25(7)36(46)52-28(16-2)40(11,48)33(44)23(30)5/h21-35,37,41,43-45,47-48H,15-20H2,1-14H3
C40H76N2O12777.03764600
8029442

18 of 19 defined stereocentres - 18/19 defined
InChI=1/C40H76N2O12/c1-15-17-41-30-21(3)19-38(9,47)35(54-37-31(43)27(42(12)13)18-22(4)50-37)24(6)32(53-29-20-39(10,49-14)34(45)26(8)51-29)25(7)36(46)52-28(16-2)40(11,48)33(44)23(30)5/h21-35,37,41,43-45,47-48H,15-20H2,1-14H3/t21-,22-,23+,24+,25-,26+,27+,28-,29+,30?,31-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1
C40H76N2O12777.03762100
8186011

15 of 19 defined stereocentres - 15/19 defined
InChI=1/C40H76N2O12/c1-15-17-41-30-21(3)19-38(9,47)35(54-37-31(43)27(42(12)13)18-22(4)50-37)24(6)32(53-29-20-39(10,49-14)34(45)26(8)51-29)25(7)36(46)52-28(16-2)40(11,48)33(44)23(30)5/h21-35,37,41,43-45,47-48H,15-20H2,1-14H3/t21-,22?,23+,24?,25-,26+,27+,28-,29+,30?,31?,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1
C40H76N2O12777.03762100
23190953

11 of 19 defined stereocentres - 11/19 defined
InChI=1/C40H76N2O12/c1-15-17-41-30-21(3)19-38(9,47)35(54-37-31(43)27(42(12)13)18-22(4)50-37)24(6)32(53-29-20-39(10,49-14)34(45)26(8)51-29)25(7)36(46)52-28(16-2)40(11,48)33(44)23(30)5/h21-35,37,41,43-45,47-48H,15-20H2,1-14H3/t21-,22?,23+,24+,25-,26?,27?,28-,29?,30+,31?,32+,33-,34?,35-,37?,38-,39?,40-/m1/s1
C40H76N2O12777.03761100

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