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: BKCKPUXEOILIKW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24767118

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,31,33,38,41,45H,6-13,15,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,33-31-,41-38-
C46H82NO7P792.1195101000
59695187

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25,27,31,33,38,41,45H,6-13,15,18,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14+,19-17+,22-20+,27-25+,33-31+,41-38+
C46H82NO7P792.11952200

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