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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 14 results

Search term: KFGOFTHODYBSGM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444411

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1
C20H34O6370.4804485100
4446171

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1/i5D2,6D2
C20H30D4O6374.505004151600
29341920

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16-,17-,18-,19+/m1/s1/i5D2,6D2
C20H30D4O6374.5056600
4939486

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14?,16-,17-,18-,19+/m1/s1
C20H34O6370.48045600
389698

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/t14-,16+,17+,18+,19-/m0/s1
C20H34O6370.48044200
58783735

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1/i1D3,2D2,3D2,4D2
C20H25D9O6379.53583300
1796

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)
C20H34O6370.48042100
78221319

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m1/s1
C20H34O6370.48041100
114814730

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/t14-,16+,17-,18+,19-/m0/s1
C20H34O6370.48041100
58163632

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/p-1/b11-10+/t14-,16+,17+,18+,19-/m0/s1
C20H33O6369.4731100

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