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
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Found 28 results

Search term: JVHXJTBJCFBINQ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8063384

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
C21H25ClO6408.87269984411
31129672

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1/i1D3,2D2
C21H20D5ClO6413.9034161500
27474103

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21?/m1/s1
C21H25ClO6408.872610600
29340871

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21-/m1/s1
C21H25ClO6408.872610800
29314841

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20+,21+/m1/s1
C21H25ClO6408.87269600
19165742

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3
C21H25ClO6408.87268500
34975874

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1
C21H25ClO6408.87268600
31130882

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1/i1D3,2D2,9D2
C21H18D7ClO6415.91574400
77498872

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21-/m0/s1
C21H25ClO6408.87264500
31130883

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1/i9D2,21D
C21H22D3ClO6411.89113300
32779613

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m0/s1
C21H25ClO6408.87263100
31129673

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1/i2D2
C21H23D2ClO6410.88493300
31129674

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1/i21D
C21H24DClO6409.87883300
31130881

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1/i9D2
C21H23D2ClO6410.88493300
21428993

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17?,18?,19?,20?,21-/m0/s1
C21H25ClO6408.872622410
31130884

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1/i1D3,2D2,9D2,21D
C21H17D8ClO6416.92192200
62495911

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18+,19+,20-,21-/m0/s1
C21H25ClO6408.87262200
62545230

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18+,19+,20+,21+/m0/s1
C21H25ClO6408.87262200
62545257

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18+,19+,20-,21+/m0/s1
C21H25ClO6408.87262200
62545284

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18+,19+,20+,21-/m0/s1
C21H25ClO6408.87262200
12

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