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: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@H](O)C1=C(C)C2=[N]3C1=Cc1c(C)c(C=C)c4C=c5c(C)c(CCC(O)=O)c6=CC7=[N](C(=C2)C(C=O)=C7CCC(O)=O)[Fe]3(n14)n56 (Found by conversion of search term to chemical structure (connectivity match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
61709328

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C54H66N4O6.Fe/c1-10-39-36(7)44-29-50-54(51(60)22-14-21-35(6)20-13-19-34(5)18-12-17-33(4)16-11-15-32(2)3)38(9)45(57-50)28-49-42(31-59)41(24-26-53(63)64)48(58-49)30-47-40(23-25-52(61)62)37(8)43(56-47)27-46(39)55-44;/h10,15,17,19,21,27-31,51,60H,1,11-14,16,18,20,22-26H2,2-9H3,(H4,55,56,57,58,59,61,62,63,64);/q;+2/p-2/b33-17+,34-19+,35-21+,43-27-,44-29-,45-28-,46-27-,47-30-,48-30-,49-28-,50-29-;/t51-;/m0./s1/rC54H64FeN4O6/c1-10-39-36(7)43-27-50-54(51(61)22-14-21-35(6)20-13-19-34(5)18-12-17-33(4)16-11-15-32(2)3)38(9)48-29-46-42(31-60)41(24-26-53(64)65)45(57-46)30-49-40(23-25-52(62)63)37(8)47(28-44(39)56-43)58(49)55-59(48)50/h10,15,17,19,21,27-31,51,61H,1,11-14,16,18,20,22-26H2,2-9H3,(H,62,63)(H,64,65)/b33-17+,34-19+,35-21+,43-27-,44-28-,45-30-,46-29-,47-28-,48-29-,49-30-,50-27-/t51-/m0/s1
C54H64FeN4O6920.95422600

Advertisement