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: WHBHBVVOGNECLV (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
389582

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
C21H30O4346.460598123391
197564

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3
C21H30O4346.460524647114
58824047

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1/i3D2,5D2,11D
C21H25D5O4351.491381000
31045811

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1/i6D,9D2,16D/t6?,15-,16+,17+,19+,20+,21+
C21H26D4O4350.48516600
62877427

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1/i12D2
C21H28D2O4348.47285400
5036287

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17-,19-,20-,21+/m1/s1
C21H30O4346.46054300
58781521

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1/i3D2,5D2,11D,12D2
C21H23D7O4353.50363500
10043774

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16-,17+,19-,20+,21-/m0/s1
C21H30O4346.46053200
10034065

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16-,17+,19-,20-,21-/m0/s1
C21H30O4346.46052100
10043772

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17-,19+,20-,21+/m1/s1
C21H30O4346.46052100
10043773

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16-,17+,19+,20+,21-/m0/s1
C21H30O4346.46052100
580853

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17-,19+,20-,21+/m0/s1
C21H30O4346.46052100
614178

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16-,17-,19-,20+,21-/m1/s1
C21H30O4346.46052100
1055274

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-/m0/s1
C21H30O4346.46052100
62668186

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17-,19+,20+,21-/m1/s1
C21H30O4346.46052200
59696907

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16?,17?,19+,20+,21+/m1/s1
C21H30O4346.46051100
114814840

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16-,17+,19+,20+,21-/m1/s1/i6D,9D2,16D/t6?,15-,16-,17+,19+,20+,21-
C21H26D4O4350.48511100
114815945

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16-,17-,19+,20+,21-/m1/s1
C21H30O4346.46051100
128947597

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19-,20-,21-/m1/s1
C21H30O4346.46051100
12

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