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
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Found 13 results

Search term: OTKJDMGTUTTYMP-ZWKOTPCHSA-O (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82609

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1
C18H39NO2301.50787620002
2319840

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1
C18H39NO2301.507860931102
3014

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3
C18H39NO2301.507860246914
5036132

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m1/s1
C18H39NO2301.5078323300
4677076

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m1/s1
C18H39NO2301.5078313301
57617974

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1/i1D3,2D2,3D2
C18H32D7NO2308.5509121000
394849

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17?,18-/m1/s1
C18H39NO2301.50787700
21232626

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/p+1/t17-,18+/m0/s1
C18H40NO2302.51525400
559261

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1/i14T,15T/t14?,15?,17-,18+
C18H37T2NO2305.5244400
58801395

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m1/s1/i1D3,2D2,3D2
C18H32D7NO2308.55091100
67491942

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1/i16D2
C18H37D2NO2303.52011100

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