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 3 results

Search term: BPABSCIRMRCINT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7845493

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H31N3O2/c1-3-26(31)13-9-23-22-6-4-18-16-19(28-29-24(30)17-10-14-27-15-11-17)5-7-20(18)21(22)8-12-25(23,26)2/h1,10-11,14-16,20-23,31H,4-9,12-13H2,2H3,(H,29,30)/b28-19+/t20-,21+,22+,23-,25-,26-/m0/s1
C26H31N3O2417.54323200
20155921

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H31N3O2/c1-3-26(31)13-9-23-22-6-4-18-16-19(28-29-24(30)17-10-14-27-15-11-17)5-7-20(18)21(22)8-12-25(23,26)2/h1,10-11,14-16,20-23,31H,4-9,12-13H2,2H3,(H,29,30)/b28-19-/t20-,21+,22+,23-,25-,26-/m0/s1
C26H31N3O2417.54321100
58818261

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C26H31N3O2/c1-3-26(31)13-9-23-22-6-4-18-16-19(28-29-24(30)17-10-14-27-15-11-17)5-7-20(18)21(22)8-12-25(23,26)2/h1,10-11,14-16,20-23,31H,4-9,12-13H2,2H3,(H,29,30)/b28-19+/t20-,21+,22+,23-,25?,26-/m0/s1
C26H31N3O2417.54321100

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