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: DSJNFFDHWUEBQM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8685154

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C43H44ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,21,28,31-32,35-36,38,41,48,50-51H,19-20,45H2,1-6H3,(H,46,52)/b22-9+/t21?,28?,31?,32?,35-,36+,38-,41-,43?/m0/s1
C43H44ClN3O13846.27482100
78445059

Double-bond stereo

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C43H44ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,21,28,31-32,35-36,38,41,48,50-51H,19-20,45H2,1-6H3,(H,46,52)/b22-9+/t21?,28?,31?,32?,35?,36?,38-,41-,43?/m0/s1
C43H44ClN3O13846.27481100

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