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: NTCPWJJOPLDDTG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
115291

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H24FIN2O3/c1-27-19-11-16(23)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-15(22)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m1/s1/i23-4
C21H24F123IN2O3494.42538700
14220586

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H24FIN2O3/c1-27-19-11-16(23)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-15(22)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)
C21H24FIN2O3498.32978600
396270

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H24FIN2O3/c1-27-19-11-16(23)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-15(22)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m1/s1/i23-2
C21H24F125IN2O3496.32994400
396271

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H24FIN2O3/c1-27-19-11-16(23)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-15(22)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m1/s1/i22-1
C21H2418FIN2O3497.33234400
8181660

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24FIN2O3/c1-27-19-11-16(23)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-15(22)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m1/s1
C21H24FIN2O3498.32974200
23164820

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24FIN2O3/c1-27-19-11-16(23)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-15(22)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m0/s1
C21H24FIN2O3498.32972200
64884584

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H24FIN2O3/c1-27-19-11-16(23)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-15(22)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/i23-4
C21H24F123IN2O3494.42532200

Advertisement