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 18 results

Search term: TVYLLZQTGLZFBW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
31105

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
C16H25NO2263.375281207229065
5322

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
C16H25NO2263.375248126900
580887

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1
C16H25NO2263.3752382722728
56713

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16-/m0/s1
C16H25NO2263.3752151400
23265993

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1/i1D3,2D3
C16H19D6NO2269.41226800
7989657

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16-/m1/s1
C16H25NO2263.37524300
5294114

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/p+1/t14-,16+/m1/s1
C16H26NO2264.383143200
23266012

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1/i1D3,2D3,3D3
C16H16D9NO2272.43073300
26402668

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14?,16-/m0/s1
C16H25NO2263.37522200
23265984

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1/i3D3
C16H22D3NO2266.39372200
5294190

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/p+1/t14-,16+/m0/s1
C16H26NO2264.383142200
397297

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/i3-1
C1511CH25NO2262.37592200
397301

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/i1-1
C1511CH25NO2262.37592200
18001581

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16?/m1/s1
C16H25NO2263.37521100
78362019

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1/i1D3,2D3
C16H19D6NO2269.41221100
95602070

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1/i18D
C16H24DNO2264.38141100
95602071

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1/i3+1D3
C1513CH22D3NO2267.38631100

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