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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: AZSRBVAPBFWEGT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58781967

Double-bond stereo

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28-31,33-34,36-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,29?,30-,31-,33+,34-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
C48H74O14875.092881200
23335294

Double-bond stereo

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28-31,33-34,36-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,29-,30-,31-,33+,34-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
C48H74O14875.09285400
64849321

Double-bond stereo

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28-31,33-34,36-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,29?,30-,31-,33+,34-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
C48H74O14875.09284300
103846930

Double-bond stereo

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28-31,33-34,36-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,29?,30-,31-,33+,34-,36-,37-,38-,39-,40+,41+,42-,43+,44-,45+,47+,48+/m0/s1
C48H74O14875.09282200
127383500

Double-bond stereo

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28-31,33-34,36-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,29-,30-,31-,33+,34-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
C48H74O14875.09282200
128909326

Double-bond stereo

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28-31,33-34,36-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,29+,30-,31-,33+,34-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
C48H74O14875.09281100
128921765

Double-bond stereo

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28-31,33-34,36-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12-,27-15-,32-14+/t25-,26-,28-,29-,30-,31-,33+,34-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
C48H74O14875.09281100
111307035

Double-bond stereo

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28-31,33-34,36-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,29?,30-,31-,33+,34-,36-,37-,38-,39-,40+,41+,42-,43+,44-,45+,47+,48+/m0/s1
C48H74O14875.09281200
115284556

Double-bond stereo

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28-31,33-34,36-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12-,27-15+,32-14-/t25-,26-,28-,29-,30-,31-,33+,34-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
C48H74O14875.09281100

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