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 7 results

Search term: AJQSDVGBERUTGX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
36011

Charge

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H27N2O2.HI/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19;/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3;1H/q+1;/p-1/t14-,15?,20+,21-,23?;/m0./s1
C21H27IN2O2466.3557511700
19960975

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H27N2O2.HI/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19;/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3;1H/q+1;/p-1/t14-,15-,20+,21-,23-;/m0./s1
C21H27IN2O2466.35576500
58785019

Charge

3 of 5 defined stereocentres - 3/5 defined

Non-standard isotope
InChI=1/C21H27N2O2.HI/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19;/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3;1H/q+1;/p-1/t14-,15?,20+,21-,23?;/m0./s1/i2D3;
C21H24D3IN2O2469.37421100
115010096

Charge

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H27N2O2.HI/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19;/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3;1H/q+1;/p-1/t14-,15-,20+,21-,23-;/m0./s1/i2D3;
C21H24D3IN2O2469.37421100
46159

Charge

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C21H27N2O2.HI/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19;/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3;1H/q+1;/p-1/t14?,15?,20-,21-,23?;/m0./s1
C21H27IN2O2466.355751100

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