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: DMMHZSRBFQLRMJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113379547

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C81H156O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h35,39,75-77,82H,5-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b39-35-/t75-,76-,77-/m1/s1
C81H156O17P21464.04271100
113380148

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C81H156O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h35,39,75-77,82H,5-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b39-35-/t75-,76+,77+/m0/s1
C81H156O17P21464.04271100

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