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 2 results

Search term: XNTXQZOYRVJULO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23314403

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C55H78N2O10/c1-26-20-53(66-47(26,4)5)27(2)46-41(64-53)16-36-32-13-11-30-15-38-40(22-50(30,8)34(32)18-43(61)52(36,46)25-59)57-37-14-29-10-12-31-33(49(29,7)21-39(37)56-38)17-42(60)51(9)35(31)19-45-54(51,63)28(3)55(65-45)44(62)23-48(6,24-58)67-55/h16,19,26-34,41-46,58-63H,10-15,17-18,20-25H2,1-9H3/t26-,27+,28+,29+,30+,31-,32-,33+,34+,41+,42-,43-,44-,45+,46+,48+,49+,50+,51-,52-,53+,54-,55+/m1/s1
C55H78N2O10927.21523300
10475208

22 of 23 defined stereocentres - 22/23 defined
InChI=1/C55H78N2O10/c1-26-20-53(66-47(26,4)5)27(2)46-41(64-53)16-36-32-13-11-30-15-38-40(22-50(30,8)34(32)18-43(61)52(36,46)25-59)57-37-14-29-10-12-31-33(49(29,7)21-39(37)56-38)17-42(60)51(9)35(31)19-45-54(51,63)28(3)55(65-45)44(62)23-48(6,24-58)67-55/h16,19,26-34,41-46,58-63H,10-15,17-18,20-25H2,1-9H3/t26?,27-,28-,29-,30-,31+,32+,33-,34-,41-,42+,43+,44+,45-,46-,48-,49-,50-,51+,52+,53-,54+,55-/m0/s1
C55H78N2O10927.21522200

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