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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 6 results

Search term: JFUVEKVTRJCUMZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4951118

Double-bond stereo

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-50-44(65-12)40(59)43(29(9)67-50)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)42(30)71-51-45(70-47(62)24(3)4)41(60)46(61)52(10,11)72-51/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22-,27-21+,31-17-
C52H74Cl2O181058.03923100
8052289

Double-bond stereo

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-50-44(65-12)40(59)43(29(9)67-50)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)42(30)71-51-45(70-47(62)24(3)4)41(60)46(61)52(10,11)72-51/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17-/t28?,29-,30?,33?,34?,40+,41+,42?,43-,44+,45-,46-,50-,51+/m0/s1
C52H74Cl2O181058.03922100
8661690

Double-bond stereo

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-50-44(65-12)40(59)43(29(9)67-50)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)42(30)71-51-45(70-47(62)24(3)4)41(60)46(61)52(10,11)72-51/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28?,29-,30?,33?,34?,40+,41+,42?,43-,44+,45-,46-,50-,51+/m0/s1
C52H74Cl2O181058.03922100
115285029

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-50-44(65-12)40(59)43(29(9)67-50)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)42(30)71-51-45(70-47(62)24(3)4)41(60)46(61)52(10,11)72-51/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15-,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40+,41-,42+,43-,44+,45+,46+,50-,51-/m1/s1
C52H74Cl2O181058.03922200
129308745

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-50-44(65-12)40(59)43(29(9)67-50)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)42(30)71-51-45(70-47(62)24(3)4)41(60)46(61)52(10,11)72-51/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15-,25-19-,26-22-,27-21-,31-17-/t28-,29-,30+,33+,34+,40+,41-,42+,43-,44+,45+,46+,50-,51-/m1/s1
C52H74Cl2O181058.03921100
78445719

Double-bond stereo

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-50-44(65-12)40(59)43(29(9)67-50)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)42(30)71-51-45(70-47(62)24(3)4)41(60)46(61)52(10,11)72-51/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28?,29-,30?,33?,34?,40+,41?,42-,43-,44+,45-,46-,50-,51+/m1/s1
C52H74Cl2O181058.03921100

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