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: JLVNEHKORQFVQJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4588965

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1
C20H25NO4343.41683243740
10234068

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1
C20H25NO4343.4168192300
548113

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2
C20H25NO4343.416887500
49073298

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1/i10D2,11D
C20H22D3NO4346.43536500
58783513

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1/i5D2,14D,18D
C20H21D4NO4347.44145700
20129492

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18?,19+,20-/m1/s1
C20H25NO4343.41683300
59007799

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m0/s1
C20H25NO4343.41683400
59007800

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m1/s1
C20H25NO4343.41683400
8218635

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15?,18+,19?,20-/m1/s1
C20H25NO4343.41682100
58783972

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1/i5D2,14D,18D
C20H21D4NO4347.44142500
78075940

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14?,15-,18+,19+,20-/m1/s1/i5D2,14D,18D
C20H21D4NO4347.44141100
103884240

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1/i1D2,2D2
C20H21D4NO4347.44141100
128926846

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19+,20-/m1/s1/i10D2,11D
C20H22D3NO4346.43531100
129162568

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18+,19+,20+/m1/s1
C20H25NO4343.41681300

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