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 16 results

Search term: AZFLJNIPTRTECV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62093

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1
C20H25NO2311.4187911810
10761296

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3
C20H25NO2311.41869800
84400574

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1/i3D2,6D2,10D2,12D,17D
C20H17D8NO2319.46736900
58781026

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20+/m1/s1
C20H25NO2311.4185700
58793425

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1/i9D2,10D2,11+1,21+1
C1913CH21D415NO2317.42873300
107450340

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1/i3D2,10D2
C20H21D4NO2315.44263300
21234991

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19-,20+/m0/s1
C20H25NO2311.4183200
58780779

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1/i3D2,10D2,12D
C20H20D5NO2316.44882200
21203724

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20+/m0/s1
C20H25NO2311.4182200
9209583

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1/i7T,18T/t7-,17+,18-,19-,20+/m0
C20H23T2NO2315.43422100
58817995

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19?,20-/m1/s1
C20H25NO2311.4181100
82825503

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1/i9D2,10D2
C20H21D4NO2315.44261200
113606476

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18-,19-,20-/m1/s1
C20H25NO2311.4181100
114936823

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1/i17D
C20H24DNO2312.42421100
115010969

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1/i2D2,3D2,6D,12D/t6?,17-,18+,19+,20-
C20H19D6NO2317.4551100

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