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: PPDBOQMNKNNODG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5020874

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+
C17H20ClN3O317.8132446300
4941086

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-
C17H20ClN3O317.8132384300
26461628

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3
C17H20ClN3O317.813211900
20573889

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+/t17-/m0/s1
C17H20ClN3O317.81327600
34448925

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+/t17-/m1/s1
C17H20ClN3O317.81325500
71047861

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-/i3+2,4+2,5+2,6+2,13+2,15+2
C1114C6H20ClN3O329.76841100
71047976

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-/i11+2,12+2
C1514C2H20ClN3O321.79831100

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