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 17 results

Search term: WKTIGYIYJKESCJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7826421

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,28-/m1/s1
C28H46O3430.663263400
7826422

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12-/t19-,23+,24+,25-,26-,28+/m0/s1
C28H46O3430.6634400
68899467

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11-,22-12-/t19-,23-,24-,25+,26+,28-/m1/s1
C28H46O3430.6634200
31046499

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11-,22-12+/t19-,23-,24-,25+,26+,28-/m1/s1
C28H46O3430.6633100
4943411

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12+/t19?,23-,24-,25+,26+,28-/m1/s1
C28H46O3430.6633400
58783765

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,28-/m1/s1/i3D3,4D3
C28H40D6O3436.72200
103867578

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12u/t19-,23-,24-,25+,26+,28-/m1/s1
C28H46O3430.6631100
111309424

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12+/t19-,23-,24+,25-,26+,28+/m1/s1
C28H46O3430.6631100
111312474

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11-,22-12-/t19-,23-,24-,25+,26+,28-/m1/s1/i3D3,4D3
C28H40D6O3436.71100
113618148

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12+/t19-,23-,24+,25-,26+,28+/m0/s1
C28H46O3430.6631100
114815541

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11u,22-12-/t19-,23-,24-,25-,26+,28+/m1/s1
C28H46O3430.6631100
23130937

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12-/t19-,23+,24?,25?,26-,28?/m0/s1
C28H46O3430.6631100
29790073

Double-bond stereo

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12+/t19?,23?,24?,25?,26-,28-/m1/s1
C28H46O3430.6631100

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