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
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Found 4 results

Search term: CKSBRWXVWDFKJD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7823589

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/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/h16,19,25-28,30-32,34,40,43,56H,4-15,17-18,20-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1
C59H102O6907.43769900
84400441

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C59H102O6/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/h16,19,25-28,30-32,34,40,43,56H,4-15,17-18,20-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-,43-40-
C59H102O6907.43765600
59651586

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/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/h16,19,25-28,30-32,34,40,43,56H,4-15,17-18,20-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1
C59H102O6907.43764500
59697139

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H102O6/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/h16,19,25-28,30-32,34,40,43,56H,4-15,17-18,20-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16+,28-25+,30-26-,31-27-,34-32+,43-40+/t56-/m1/s1
C59H102O6907.43761100

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