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: LIKLIPIIWAWWLK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7932103

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H24N4O3/c26-21(24-23-13-16-6-7-19-20(12-16)28-15-27-19)8-11-25-10-2-1-5-18(25)17-4-3-9-22-14-17/h3-4,6-7,9,12-14,18H,1-2,5,8,10-11,15H2,(H,24,26)/b23-13+
C21H24N4O3380.440312900
3554891

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H24N4O3/c26-21(24-23-13-16-6-7-19-20(12-16)28-15-27-19)8-11-25-10-2-1-5-18(25)17-4-3-9-22-14-17/h3-4,6-7,9,12-14,18H,1-2,5,8,10-11,15H2,(H,24,26)
C21H24N4O3380.440263200
4619474

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N4O3/c26-21(24-23-13-16-6-7-19-20(12-16)28-15-27-19)8-11-25-10-2-1-5-18(25)17-4-3-9-22-14-17/h3-4,6-7,9,12-14,18H,1-2,5,8,10-11,15H2,(H,24,26)/b23-13-/t18-/m0/s1
C21H24N4O3380.44032100
5030425

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N4O3/c26-21(24-23-13-16-6-7-19-20(12-16)28-15-27-19)8-11-25-10-2-1-5-18(25)17-4-3-9-22-14-17/h3-4,6-7,9,12-14,18H,1-2,5,8,10-11,15H2,(H,24,26)/b23-13-/t18-/m1/s1
C21H24N4O3380.44032100
5371197

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N4O3/c26-21(24-23-13-16-6-7-19-20(12-16)28-15-27-19)8-11-25-10-2-1-5-18(25)17-4-3-9-22-14-17/h3-4,6-7,9,12-14,18H,1-2,5,8,10-11,15H2,(H,24,26)/p+1/b23-13-/t18-/m0/s1
C21H25N4O3381.44771100
5687216

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N4O3/c26-21(24-23-13-16-6-7-19-20(12-16)28-15-27-19)8-11-25-10-2-1-5-18(25)17-4-3-9-22-14-17/h3-4,6-7,9,12-14,18H,1-2,5,8,10-11,15H2,(H,24,26)/p+1/b23-13-/t18-/m1/s1
C21H25N4O3381.44771100
21220806

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H24N4O3/c26-21(24-23-13-16-6-7-19-20(12-16)28-15-27-19)8-11-25-10-2-1-5-18(25)17-4-3-9-22-14-17/h3-4,6-7,9,12-14,18H,1-2,5,8,10-11,15H2,(H,24,26)/p+1/b23-13+/t18-/m0/s1
C21H25N4O3381.44771100

Advertisement