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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
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Found 3 results

Search term: C44H57N7O10 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8593524

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
C44H57N7O10843.96433200
8756761

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C44H57N7O10/c1-26(2)21-35(40(55)49-34(43(58)59)19-11-12-20-45)50-41(56)36(22-28-13-5-4-6-14-28)48-38(54)24-46-37(53)23-47-42(57)39(27(3)52)51-44(60)61-25-33-31-17-9-7-15-29(31)30-16-8-10-18-32(30)33/h4-10,13-18,26-27,33-36,39,52H,11-12,19-25,45H2,1-3H3,(H,46,53)(H,47,57)(H,48,54)(H,49,55)(H,50,56)(H,51,60)(H,58,59)/t27-,34+,35+,36+,39+/m1/s1
C44H57N7O10843.96432100
58196537

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C44H57N7O10/c1-3-26(2)37-44(61)51-23-9-14-35(51)43(60)50-22-8-13-34(50)40(57)45-30(19-20-36(53)54)38(55)47-32(25-28-15-17-29(52)18-16-28)42(59)49-21-7-12-33(49)41(58)46-31(39(56)48-37)24-27-10-5-4-6-11-27/h4-6,10-11,15-18,26,30-35,37,52H,3,7-9,12-14,19-25H2,1-2H3,(H,45,57)(H,46,58)(H,47,55)(H,48,56)(H,53,54)/t26-,30-,31-,32-,33-,34-,35-,37-/m0/s1
C44H57N7O10843.96432200

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