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 5 results

Search term: WKUBPYDMKORRSH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2032555

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H27NO2/c1-20(2)12-17(23)19-16-9-6-10-21(11-16,24-18(19)13-20)22-14-15-7-4-3-5-8-15/h3-5,7-8,16,22H,6,9-14H2,1-2H3
C21H27NO2325.4445811900
5498979

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO2/c1-20(2)12-17(23)19-16-9-6-10-21(11-16,24-18(19)13-20)22-14-15-7-4-3-5-8-15/h3-5,7-8,16,22H,6,9-14H2,1-2H3/t16-,21+/m1/s1
C21H27NO2325.44462100
5498981

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO2/c1-20(2)12-17(23)19-16-9-6-10-21(11-16,24-18(19)13-20)22-14-15-7-4-3-5-8-15/h3-5,7-8,16,22H,6,9-14H2,1-2H3/t16-,21+/m0/s1
C21H27NO2325.44462100
5498980

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO2/c1-20(2)12-17(23)19-16-9-6-10-21(11-16,24-18(19)13-20)22-14-15-7-4-3-5-8-15/h3-5,7-8,16,22H,6,9-14H2,1-2H3/p+1/t16-,21+/m0/s1
C21H28NO2326.4521100
5498978

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO2/c1-20(2)12-17(23)19-16-9-6-10-21(11-16,24-18(19)13-20)22-14-15-7-4-3-5-8-15/h3-5,7-8,16,22H,6,9-14H2,1-2H3/p+1/t16-,21+/m1/s1
C21H28NO2326.4521100

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