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: JCLZQRQJFXFGGK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
121516

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H21NO2/c1-2-3-9-14-10-12(15)11-16-13-7-5-4-6-8-13/h4-8,12,14-15H,2-3,9-11H2,1H3
C13H21NO2223.3113332600
1375743

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H21NO2/c1-2-3-9-14-10-12(15)11-16-13-7-5-4-6-8-13/h4-8,12,14-15H,2-3,9-11H2,1H3/t12-/m0/s1
C13H21NO2223.31132100
1375745

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H21NO2/c1-2-3-9-14-10-12(15)11-16-13-7-5-4-6-8-13/h4-8,12,14-15H,2-3,9-11H2,1H3/t12-/m1/s1
C13H21NO2223.31132100
1375744

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H21NO2/c1-2-3-9-14-10-12(15)11-16-13-7-5-4-6-8-13/h4-8,12,14-15H,2-3,9-11H2,1H3/p+1/t12-/m1/s1
C13H22NO2224.31871100
1375742

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H21NO2/c1-2-3-9-14-10-12(15)11-16-13-7-5-4-6-8-13/h4-8,12,14-15H,2-3,9-11H2,1H3/p+1/t12-/m0/s1
C13H22NO2224.31871100

Advertisement