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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: C55H82O21S2 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4945067

Double-bond stereo

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C55H82O21S2/c1-10-11-28(2)12-15-51(5,57)50-30(4)20-39-38(71-50)26-46-55(9,74-39)49(56)48-42(70-46)24-41-47(72-48)29(3)13-16-53(7)44(69-41)27-43-54(8,76-53)17-14-31-32(68-43)21-34-33(65-31)22-35-36(66-34)23-40-37(67-35)25-45(75-78(61,62)63)52(6,73-40)18-19-64-77(58,59)60/h10,12,15,29,31-50,56-57H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,58,59,60)(H,61,62,63)/b15-12+/t29-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50-,51+,52+,53-,54+,55-/m0/s1
C55H82O21S21143.357121200
35013586

Double-bond stereo

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C55H82O21S2/c1-10-11-28(2)12-15-51(5,57)50-30(4)20-39-38(71-50)26-46-55(9,74-39)49(56)48-42(70-46)24-41-47(72-48)29(3)13-16-53(7)44(69-41)27-43-54(8,76-53)17-14-31-32(68-43)21-34-33(65-31)22-35-36(66-34)23-40-37(67-35)25-45(75-78(61,62)63)52(6,73-40)18-19-64-77(58,59)60/h10,12,15,29,31-50,56-57H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,58,59,60)(H,61,62,63)/b15-12+
C55H82O21S21143.3574500
9392100

Double-bond stereo

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C55H82O21S2/c1-10-12-28(2)13-16-51(5,57)50-29(3)19-39-38(71-50)25-46-55(9,74-39)49(56)48-42(70-46)23-41-47(72-48)30(4)27-54(8)44(69-41)26-43-53(7,76-54)17-14-31-32(68-43)20-34-33(65-31)21-35-36(66-34)22-40-37(67-35)24-45(75-78(61,62)63)52(6,73-40)15-11-18-64-77(58,59)60/h10,13,16,30-50,56-57H,1-3,11-12,14-15,17-27H2,4-9H3,(H,58,59,60)(H,61,62,63)/b16-13+/t30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50+,51-,52+,53+,54-,55-/m0/s1
C55H82O21S21143.3572100
95638358

Double-bond stereo

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C55H82O21S2/c1-10-11-28(2)12-15-51(5,57)50-30(4)20-39-38(71-50)26-46-55(9,74-39)49(56)48-42(70-46)24-41-47(72-48)29(3)13-16-53(7)44(69-41)27-43-54(8,76-53)17-14-31-32(68-43)21-34-33(65-31)22-35-36(66-34)23-40-37(67-35)25-45(75-78(61,62)63)52(6,73-40)18-19-64-77(58,59)60/h10,12,15,29,31-50,56-57H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,58,59,60)(H,61,62,63)
C55H82O21S21143.3572200
57643568

Double-bond stereo

8 of 26 defined stereocentres - 8/26 defined
InChI=1/C55H82O21S2/c1-10-11-28(2)12-15-51(5,57)50-30(4)20-39-38(71-50)26-46-55(9,74-39)49(56)48-42(70-46)24-41-47(72-48)29(3)13-16-53(7)44(69-41)27-43-54(8,76-53)17-14-31-32(68-43)21-34-33(65-31)22-35-36(66-34)23-40-37(67-35)25-45(75-78(61,62)63)52(6,73-40)18-19-64-77(58,59)60/h10,12,15,29,31-50,56-57H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,58,59,60)(H,61,62,63)/b15-12+/t29-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45-,46?,47?,48?,49+,50?,51+,52+,53-,54+,55-/m0/s1
C55H82O21S21143.3571100

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