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 13 results

Search term: QMQBBUPJKANITL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
14682

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22+;/m1./s1
C22H30ClNO2375.93214653130
16736787

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22+;/m0./s1
C22H30ClNO2375.9321162100
14591

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H
C22H30ClNO2375.93211516900
48062943

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/i6D,8D,9D,12D,13D,16D2;
C22H23D7ClNO2382.97527800
21865845

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22-;/m1./s1
C22H30ClNO2375.932165838
26626980

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22?;/m1./s1
C22H30ClNO2375.93215700
30773446

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22+;/m0./s1/i1D3,5D2;
C22H25D5ClNO2380.96293200
24533472

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22+;/m1./s1/i1D3,5D2;
C22H25D5ClNO2380.96292100
84451368

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22?;/m1./s1/i3D3,4D3,7D,10D,11D,14D,15D;
C22H19D11ClNO2386.99992100
84451374

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22?;/m1./s1/i7D,10D,11D,14D,15D;
C22H25D5ClNO2380.96292100
114957623

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22?;/m0./s1
C22H30ClNO2375.93211100
129260765

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/i7D,10D,11D,14D,15D;
C22H25D5ClNO2380.96291500
73994005

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22-;/m0./s1
C22H30ClNO2375.93211100

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