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: ZFQSDPPADTWKDI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8648096

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
C21H28O4344.4446171700
21587543

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14?,15-,16+,17?,19+,20?,21?/m0/s1
C21H28O4344.44464200
10090218

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15+,16-,17+,19-,20-,21-/m1/s1
C21H28O4344.44462100
10090219

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m1/s1
C21H28O4344.44462100
10090240

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15+,16-,17+,19-,20-,21+/m1/s1
C21H28O4344.44462100
10090241

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15+,16-,17-,19-,20-,21+/m1/s1
C21H28O4344.44462100
624884

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16-,17-,19-,20-,21+/m1/s1
C21H28O4344.44462100
1065585

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15+,16-,17+,19+,20+,21-/m0/s1
C21H28O4344.44462100
2877884

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3
C21H28O4344.444622100
58780707

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14?,15-,16+,17-,19+,20-,21-/m0/s1/i3D2,7D,9D,10D2,17D,19D
C21H20D8O4352.49391100
67160895

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16?,17-,19+,20-,21-/m0/s1
C21H28O4344.44461200
107442932

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15+,16+,17+,19+,20-,21-/m0/s1
C21H28O4344.44461300
107442933

5 of 7 defined stereocentres - 5/7 defined

Non-standard isotope
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14?,15-,16+,17-,19?,20-,21-/m0/s1/i3D2,7D,9D,10D2,17D,19D
C21H20D8O4352.49391100
114553486

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m1/s1
C21H28O4344.44461100

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