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: IKUQDTRLGIRQET (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3229979

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27NO2/c1-4-15-7-9-16(10-8-15)21-18-14-20(24-6-3)19(23-5-2)13-17(18)11-12-22-21/h7-10,13-14,21-22H,4-6,11-12H2,1-3H3
C21H27NO2325.4446141100
585657

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO2/c1-4-15-7-9-16(10-8-15)21-18-14-20(24-6-3)19(23-5-2)13-17(18)11-12-22-21/h7-10,13-14,21-22H,4-6,11-12H2,1-3H3/t21-/m1/s1
C21H27NO2325.44462100
5376898

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO2/c1-4-15-7-9-16(10-8-15)21-18-14-20(24-6-3)19(23-5-2)13-17(18)11-12-22-21/h7-10,13-14,21-22H,4-6,11-12H2,1-3H3/t21-/m0/s1
C21H27NO2325.44462100
5294814

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO2/c1-4-15-7-9-16(10-8-15)21-18-14-20(24-6-3)19(23-5-2)13-17(18)11-12-22-21/h7-10,13-14,21-22H,4-6,11-12H2,1-3H3/p+1/t21-/m1/s1
C21H28NO2326.452521100
5376897

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO2/c1-4-15-7-9-16(10-8-15)21-18-14-20(24-6-3)19(23-5-2)13-17(18)11-12-22-21/h7-10,13-14,21-22H,4-6,11-12H2,1-3H3/p+1/t21-/m0/s1
C21H28NO2326.4521100

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