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 14 results

Search term: XLMALTXPSGQGBX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9696

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29NO2/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/t18-,22+/m1/s1
C22H29NO2339.47124893125821
14592

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H29NO2/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
C22H29NO2339.47123899480211
173777

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29NO2/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/t18-,22+/m0/s1
C22H29NO2339.4712323780211
21234163

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29NO2/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/t18-,22-/m1/s1
C22H29NO2339.4712131480211
21864756

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H29NO2/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/t18-,22?/m1/s1
C22H29NO2339.4712111300
27472503

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C22H29NO2/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/i7D,10D,11D,14D,15D
C22H24D5NO2344.50291200
390038

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29NO2/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/t18-,22-/m0/s1
C22H29NO2339.47127800
107443286

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H29NO2/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/t18-,22+/m1/s1/i1D3,5D2
C22H24D5NO2344.5022200
27523924

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C22H29NO2/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/i3D3,4D3,7D,10D,11D,14D,15D
C22H18D11NO2350.53892600
49073348

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H29NO2/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/t18-,22+/m1/s1/i7D,10D,11D,14D,15D
C22H24D5NO2344.5022100
58785278

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H29NO2/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/t18-,22-/m1/s1/i1D3,5D2
C22H24D5NO2344.5021100
78057730

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C22H29NO2/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/i6D,8D,9D,12D,13D,16D2
C22H22D7NO2346.51431100
78362140

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H29NO2/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/t18-,22?/m0/s1
C22H29NO2339.47121100
114392534

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H29NO2/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/t18-,22+/m1/s1/i6D,8D,9D,12D,13D
C22H24D5NO2344.5021100

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