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 11 results

Search term: AQHHHDLHHXJYJD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4777

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
C16H21NO2259.34341162100428570205
19877

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
C16H21NO2259.3434608110521
82653

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
C16H21NO2259.3434456754147
24532899

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D
C16H14D7NO2266.3866222700
23937055

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i1D3,2D3,12D
C16H14D7NO2266.3866202500
5296478

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/p+1/t14-/m0/s1
C16H22NO2260.351383200
4278077

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/p+1
C16H22NO2260.351383300
5294318

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/p+1/t14-/m1/s1
C16H22NO2260.351382200
397062

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i12-1
C1511CH21NO2258.34422200
58828558

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i16+2
C1514CH21NO2261.3362300
95754132

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i18D/hD
C16H19D2NO2261.35581100

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