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 3 results

Search term: VUNSQJRBLNQFPQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7823360

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,32,38,41,54H,4-15,18,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m1/s1
C57H96O6877.3685771115
59651578

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,32,38,41,54H,4-15,18,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,29-26-,32-30-,41-38-/t54-/m0/s1
C57H96O6877.36853400
59697131

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-27,29-30,32,38,41,54H,4-15,18,22-23,28,31,33-37,39-40,42-53H2,1-3H3/b19-16+,20-17+,24-21+,27-25+,29-26+,32-30+,41-38+/t54-/m1/s1
C57H96O6877.36851100

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