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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
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Found 6 results

Search term: C47H72O16 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4477013

10 of 19 defined stereocentres - 10/19 defined
InChI=1/C47H72O16/c1-10-11-20-59-38(55)34-30(51)31(52)35(63-39-32(53)28(49)29(50)33(61-39)37(54)58-9)40(62-34)60-27-13-14-45(6)26(42(27,2)3)12-15-47(8)36(45)25(48)21-23-24-22-44(5,41(56)57)17-16-43(24,4)18-19-46(23,47)7/h21,24,26-36,39-40,49-53H,10-20,22H2,1-9H3,(H,56,57)/t24?,26?,27?,28-,29+,30+,31-,32-,33+,34+,35-,36?,39+,40-,43?,44?,45?,46?,47?/m1/s1
C47H72O16893.0652200
10142536

14 of 19 defined stereocentres - 14/19 defined
InChI=1/C47H72O16/c1-10-11-20-59-38(55)34-30(51)31(52)35(63-39-32(53)28(49)29(50)33(61-39)37(54)58-9)40(62-34)60-27-13-14-45(6)26(42(27,2)3)12-15-47(8)36(45)25(48)21-23-24-22-44(5,41(56)57)17-16-43(24,4)18-19-46(23,47)7/h21,24,26-36,39-40,49-53H,10-20,22H2,1-9H3,(H,56,57)/t24?,26?,27?,28-,29+,30+,31-,32-,33+,34+,35-,36?,39+,40-,43-,44+,45+,46?,47-/m1/s1
C47H72O16893.0652200
62285705

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C47H72O16/c1-9-15-39(49)61-38-25-33-23-32(58-45-44(54-8)43(63-41(51)17-11-3)42(29(6)55-45)62-40(50)16-10-2)22-31(57-33)20-27(4)18-13-12-14-19-35-28(5)21-36(60-35)37(56-30(7)48)24-34-26-47(38,53)46(52)59-34/h12-14,18,27-29,31-38,42-45,53H,9-11,15-17,19-26H2,1-8H3/b14-12-,18-13+/t27-,28-,29-,31+,32-,33+,34-,35-,36-,37-,38+,42+,43+,44+,45-,47-/m0/s1
C47H72O16893.0652200
76802367

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C47H72O16/c1-9-15-39(49)61-38-25-33-23-32(58-45-44(54-8)43(63-41(51)17-11-3)42(29(6)55-45)62-40(50)16-10-2)22-31(57-33)20-27(4)18-13-12-14-19-35-28(5)21-36(60-35)37(56-30(7)48)24-34-26-47(38,53)46(52)59-34/h12-14,18,27-29,31-38,42-45,53H,9-11,15-17,19-26H2,1-8H3/b14-12-,18-13+/t27-,28-,29-,31+,32-,33+,34-,35-,36-,37-,38-,42+,43+,44+,45-,47-/m0/s1
C47H72O16893.0652200
17252023

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C47H72O16/c1-22-28(14-15-55-22)29-12-13-31-30(43(29)51)11-10-27-16-34(33(49)21-47(27,31)6)60-39-19-36(53-8)46(25(4)58-39)63-41-20-37(54-9)45(26(5)59-41)62-38-17-32(48)44(24(3)57-38)61-40-18-35(52-7)42(50)23(2)56-40/h10,14-15,23-26,29-42,44-46,48-50H,11-13,16-21H2,1-9H3/t23-,24-,25-,26+,29-,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-,44-,45-,46-,47+/m1/s1
C47H72O16893.0651100
28287061

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C47H72O16/c1-21(20-58-43-40(56)38(54)35(51)31(18-48)61-43)6-7-24-8-9-25-16-30-28-11-10-26-17-27(12-14-46(26,4)29(28)13-15-47(30,5)33(25)22(24)2)60-45-42(39(55)36(52)32(19-49)62-45)63-44-41(57)37(53)34(50)23(3)59-44/h8-10,21,23,27-32,34-45,48-57H,6-7,11-20H2,1-5H3/t21u,23-,27-,28+,29-,30-,31+,32+,34-,35+,36+,37+,38-,39-,40+,41+,42+,43+,44?,45+,46-,47-/m0/s1
C47H72O16893.0651100

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