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: ANMJACVOMYHOFB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768275

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H100O6/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/h8,11,16-17,19-20,25-26,28,30,32,34,40,43,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,34-32-,43-40-/t56-/m0/s1
C59H100O6905.42173200
59683962

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H100O6/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/h8,11,16-17,19-20,25-26,28,30,32,34,40,43,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,34-32-,43-40-/t56-/m1/s1
C59H100O6905.42173400
59699451

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C59H100O6/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/h8,11,16-17,19-20,25-26,28,30,32,34,40,43,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8+,19-16+,20-17+,28-25+,30-26+,34-32+,43-40+/t56-/m0/s1
C59H100O6905.42171100

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