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 13 results

Search term: DCULYKVTBAXAER (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16738127

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13-,15-,16+,17-,19-,21-,22-/m1/s1
C22H28O6388.4541242300
433236

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3
C22H28O6388.45414300
326801

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12?,13-,15+,16?,17-,19?,21?,22?/m1/s1
C22H28O6388.45412200
68054521

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13+,15+,16-,17+,19+,21+,22+/m0/s1
C22H28O6388.45412200
82965834

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13-,15-,16+,17-,19-,21-,22-/m0/s1
C22H28O6388.45412100
57259753

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13-,15?,16+,17-,19-,21-,22-/m1/s1
C22H28O6388.45412100
60600535

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13+,15+,16-,17+,19+,21+,22+/m1/s1
C22H28O6388.45411100
107450987

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13-,15+,16+,17-,19-,21-,22-/m1/s1
C22H28O6388.45411100
113611526

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13-,15+,16+,17-,19-,21+,22-/m1/s1
C22H28O6388.45411100
114392117

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13-,15+,16+,17+,19-,21-,22-/m1/s1
C22H28O6388.45411100
28282633

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12?,13?,15?,16-,17+,19+,21?,22+/m0/s1
C22H28O6388.45411100

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