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 3 results

Search term: LBQBPNUDPMXAOW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23125896

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C41H67N5O9/c1-12-31-40(9,50)34(48)28(7)43-22-23(2)20-39(8)35(53-38-32(47)30(45(10)11)19-25(4)51-38)26(5)33(27(6)37(49)52-31)54-41(55-39)15-17-46(18-16-41)36-29(21-42)14-13-24(3)44-36/h13-14,23,25-28,30-35,38,43,47-48,50H,12,15-20,22H2,1-11H3/t23-,25-,26+,27-,28-,30?,31-,32-,33+,34-,35-,38+,39-,40-/m1/s1
C41H67N5O9773.99882200
58119730

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C41H67N5O9/c1-12-31-40(9,50)34(48)28(7)43-22-23(2)20-39(8)35(53-38-32(47)30(45(10)11)19-25(4)51-38)26(5)33(27(6)37(49)52-31)54-41(55-39)15-17-46(18-16-41)36-29(21-42)14-13-24(3)44-36/h13-14,23,25-28,30-35,38,43,47-48,50H,12,15-20,22H2,1-11H3/t23-,25-,26+,27?,28-,30?,31-,32-,33+,34-,35-,38+,39-,40-/m1/s1
C41H67N5O9773.99881100

Advertisement