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 4 results

Search term: SQBMPFCSSGSZFV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7823457

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-31,56H,4-15,17-18,20-24,29,32-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-/t56-/m1/s1
C59H106O6911.46936600
59659887

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-31,56H,4-15,17-18,20-24,29,32-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-/t56-/m0/s1
C59H106O6911.46933600
59699401

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-31,56H,4-15,17-18,20-24,29,32-55H2,1-3H3/b19-16+,28-25+,30-26+,31-27+/t56-/m1/s1
C59H106O6911.46931100

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