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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 10 results

Search term: VEFQDSXSELSHMX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
35303406

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7-/t11-,12-,13+,14+,15-,17-,19+,20+/m0/s1
C20H30O5350.4492161200
28420754

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7+/t11-,12-,13+,14+,15-,17-,19+,20+/m0/s1
C20H30O5350.449213900
8911934

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7+/t11-,12-,13+,14+,15-,17+,19-,20+/m0/s1
C20H30O5350.44924400
4947449

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7+
C20H30O5350.44922200
82966071

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7+/t11-,12-,13+,14+,15-,17-,19+,20+/m1/s1
C20H30O5350.44922200
114724708

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7+/t11-,12-,13+,14?,15-,17-,19+,20+/m0/s1
C20H30O5350.44922200
127383945

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7-/t11-,12-,13+,14?,15-,17-,19+,20+/m0/s1
C20H30O5350.44921100
113611508

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7-/t11-,12-,13-,14+,15-,17+,19-,20-/m0/s1
C20H30O5350.44921100
52563969

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7-/t11-,12?,13?,14?,15-,17+,19?,20+/m0/s1
C20H30O5350.44921100
58132265

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7-/t11-,12-,13+,14+,15-,17+,19-,20+/m0/s1
C20H30O5350.44921100

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