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: XKYMIHJCJJUECW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
45743351

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H35NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-22,24,27,29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,24+/m0/s1
C25H35NO4413.5497111200
68025532

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H35NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-22,24,27,29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21-,22-,24-/m1/s1
C25H35NO4413.54971100
128925326

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H35NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-22,24,27,29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16u/t20-,21+,22-,24+/m0/s1
C25H35NO4413.54971100

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