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: MVLFMIHIBDQYEW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4383885

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C46H56N4O10/c1-3-26-57-46-42(48(2)45(53)59-35-17-15-34(16-18-35)50(54)55)30-40(47-58-31-32-11-5-4-6-12-32)38-28-33(13-7-9-24-51)37(14-8-10-25-52)43(44(38)46)39-29-36(19-20-41(39)60-46)56-27-23-49-21-22-49/h3-6,11-12,15-20,28-29,33,37,42-44,51-52H,1,7-10,13-14,21-27,30-31H2,2H3
C46H56N4O10824.9576399999982100
5062066

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C46H56N4O10/c1-3-26-57-46-42(48(2)45(53)59-35-17-15-34(16-18-35)50(54)55)30-40(47-58-31-32-11-5-4-6-12-32)38-28-33(13-7-9-24-51)37(14-8-10-25-52)43(44(38)46)39-29-36(19-20-41(39)60-46)56-27-23-49-21-22-49/h3-6,11-12,15-20,28-29,33,37,42-44,51-52H,1,7-10,13-14,21-27,30-31H2,2H3/t33-,37+,42-,43+,44+,46+/m0/s1
C46H56N4O10824.95762100

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