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: ZJYZOWMDMWQJIV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57267320

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
C25H40O8468.58039900
57262508

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
C25H40O8468.58037600
94269991

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1/i6D2,17D
C25H37D3O8471.59885400
94269990

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1/i6D2,17D
C25H37D3O8471.59884300
113064090

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,23-,24+,25+/m1/s1
C25H40O8468.58032200
3583874

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)
C25H40O8468.58032100
58163640

Charge

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/p-1/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
C25H39O8467.57291100
76962956

Charge

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/p-1/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
C25H39O8467.57291200
107444107

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1/i7D2,11D2,13D
C25H35D5O8473.61111200
113064084

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,23-,24+,25+/m1/s1/i6D2,17D
C25H37D3O8471.59881100
113064086

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,23-,24+,25+/m1/s1
C25H40O8468.58031100
113064088

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,23-,24+,25+/m1/s1/i6D2,17D
C25H37D3O8471.59881100

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