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: HJTADJIVGZRTHF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8923732

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C55H76N2O11/c1-26-32-14-15-33-30-13-11-29-17-38-45(46(64-9)50(29,7)35(30)19-41(60)52(32,33)25-65-54(26)42(61)22-47(3,4)67-54)57-37-16-28-10-12-31-34(49(28,6)21-39(37)56-38)18-40(59)51(8)36(31)20-44-53(51,63)27(2)55(66-44)43(62)23-48(5,24-58)68-55/h15,20,26-32,34-35,40,42-44,46,58-59,61-63H,10-14,16-19,21-25H2,1-9H3/t26-,27-,28-,29-,30-,31+,32+,34-,35-,40+,42+,43+,44-,46-,48-,49-,50-,51+,52+,53+,54+,55-/m0/s1
C55H76N2O11941.19877600
10276068

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C55H76N2O11/c1-26-32-14-15-33-30-13-11-29-17-38-45(46(64-9)50(29,7)35(30)19-41(60)52(32,33)25-65-54(26)42(61)22-47(3,4)67-54)57-37-16-28-10-12-31-34(49(28,6)21-39(37)56-38)18-40(59)51(8)36(31)20-44-53(51,63)27(2)55(66-44)43(62)23-48(5,24-58)68-55/h15,20,26-32,34-35,40,42-44,46,58-59,61-63H,10-14,16-19,21-25H2,1-9H3/t26-,27+,28+,29+,30+,31-,32-,34+,35+,40-,42-,43-,44+,46+,48+,49+,50+,51-,52-,53-,54-,55+/m1/s1
C55H76N2O11941.19873301
23314353

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C55H76N2O11/c1-26-32-14-15-33-30-13-11-29-17-38-45(46(64-9)50(29,7)35(30)19-41(60)52(32,33)25-65-54(26)42(61)22-47(3,4)67-54)57-37-16-28-10-12-31-34(49(28,6)21-39(37)56-38)18-40(59)51(8)36(31)20-44-53(51,63)27(2)55(66-44)43(62)23-48(5,24-58)68-55/h15,20,26-32,34-35,40,42-44,46,58-59,61-63H,10-14,16-19,21-25H2,1-9H3/t26-,27+,28+,29+,30+,31-,32-,34+,35+,40-,42-,43-,44+,46+,48+,49+,50+,51-,52-,53-,54+,55+/m1/s1
C55H76N2O11941.19872200
2340716

19 of 22 defined stereocentres - 19/22 defined
InChI=1/C55H76N2O11/c1-26-32-14-15-33-30-13-11-29-17-38-45(46(64-9)50(29,7)35(30)19-41(60)52(32,33)25-65-54(26)42(61)22-47(3,4)67-54)57-37-16-28-10-12-31-34(49(28,6)21-39(37)56-38)18-40(59)51(8)36(31)20-44-53(51,63)27(2)55(66-44)43(62)23-48(5,24-58)68-55/h15,20,26-32,34-35,40,42-44,46,58-59,61-63H,10-14,16-19,21-25H2,1-9H3/t26-,27-,28-,29-,30-,31+,32+,34-,35-,40+,42+,43+,44-,46-,48-,49-,50-,51+,52?,53+,54?,55?/m0/s1
C55H76N2O11941.1987399999982200
8593817

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C55H76N2O11/c1-26-32-14-15-33-30-13-11-29-17-38-45(46(64-9)50(29,7)35(30)19-41(60)52(32,33)25-65-54(26)42(61)22-47(3,4)67-54)57-37-16-28-10-12-31-34(49(28,6)21-39(37)56-38)18-40(59)51(8)36(31)20-44-53(51,63)27(2)55(66-44)43(62)23-48(5,24-58)68-55/h15,20,26-32,34-35,40,42-44,46,58-59,61-63H,10-14,16-19,21-25H2,1-9H3/t26-,27-,28-,29-,30-,31+,32?,34-,35-,40+,42+,43+,44-,46-,48-,49-,50-,51+,52+,53+,54+,55?/m0/s1
C55H76N2O11941.19872100

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