Matches any text strings used to describe a molecule.
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 8 results

Search term: DBISGXLGRVQZTK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8073138

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C46H64O15/c1-21(2)16-29-22(3)34-32(58-42(29)55)18-31-28-11-8-25-17-27(12-14-45(25,5)30(28)13-15-46(31,34)20-48)57-44-40(36(51)35(50)33(19-47)59-44)61-43-38(53)37(52)39(23(4)56-43)60-41(54)24-6-9-26(49)10-7-24/h6-10,16,20,22-23,27-40,42-44,47,49-53,55H,11-15,17-19H2,1-5H3/t22-,23+,27+,28-,29-,30+,31+,32?,33-,34+,35-,36+,37+,38-,39+,40-,42-,43+,44-,45+,46-/m1/s1
C46H64O15856.99142100
8254840

15 of 21 defined stereocentres - 15/21 defined
InChI=1/C46H64O15/c1-21(2)16-29-22(3)34-32(58-42(29)55)18-31-28-11-8-25-17-27(12-14-45(25,5)30(28)13-15-46(31,34)20-48)57-44-40(36(51)35(50)33(19-47)59-44)61-43-38(53)37(52)39(23(4)56-43)60-41(54)24-6-9-26(49)10-7-24/h6-10,16,20,22-23,27-40,42-44,47,49-53,55H,11-15,17-19H2,1-5H3/t22-,23+,27+,28?,29-,30?,31?,32?,33-,34?,35-,36+,37+,38-,39+,40-,42-,43+,44?,45+,46-/m1/s1
C46H64O15856.99142100
8685190

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C46H64O15/c1-21(2)16-29-22(3)34-32(58-42(29)55)18-31-28-11-8-25-17-27(12-14-45(25,5)30(28)13-15-46(31,34)20-48)57-44-40(36(51)35(50)33(19-47)59-44)61-43-38(53)37(52)39(23(4)56-43)60-41(54)24-6-9-26(49)10-7-24/h6-10,16,20,22-23,27-40,42-44,47,49-53,55H,11-15,17-19H2,1-5H3/t22-,23+,27+,28-,29-,30+,31+,32+,33-,34+,35-,36+,37+,38-,39+,40-,42-,43+,44-,45+,46-/m1/s1
C46H64O15856.99142100
8780963

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C46H64O15/c1-21(2)16-29-22(3)34-32(58-42(29)55)18-31-28-11-8-25-17-27(12-14-45(25,5)30(28)13-15-46(31,34)20-48)57-44-40(36(51)35(50)33(19-47)59-44)61-43-38(53)37(52)39(23(4)56-43)60-41(54)24-6-9-26(49)10-7-24/h6-10,16,20,22-23,27-40,42-44,47,49-53,55H,11-15,17-19H2,1-5H3/t22-,23+,27?,28-,29-,30+,31+,32+,33-,34+,35-,36+,37+,38-,39+,40-,42-,43+,44-,45+,46-/m1/s1
C46H64O15856.99142100
9940802

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C46H64O15/c1-21(2)16-29-22(3)34-32(58-42(29)55)18-31-28-11-8-25-17-27(12-14-45(25,5)30(28)13-15-46(31,34)20-48)57-44-40(36(51)35(50)33(19-47)59-44)61-43-38(53)37(52)39(23(4)56-43)60-41(54)24-6-9-26(49)10-7-24/h6-10,16,20,22-23,27-40,42-44,47,49-53,55H,11-15,17-19H2,1-5H3/t22-,23-,27+,28-,29-,30+,31+,32+,33-,34+,35-,36+,37-,38+,39-,40-,42-,43+,44-,45+,46-/m1/s1
C46H64O15856.99142100
21377045

15 of 21 defined stereocentres - 15/21 defined
InChI=1/C46H64O15/c1-21(2)16-29-22(3)34-32(58-42(29)55)18-31-28-11-8-25-17-27(12-14-45(25,5)30(28)13-15-46(31,34)20-48)57-44-40(36(51)35(50)33(19-47)59-44)61-43-38(53)37(52)39(23(4)56-43)60-41(54)24-6-9-26(49)10-7-24/h6-10,16,20,22-23,27-40,42-44,47,49-53,55H,11-15,17-19H2,1-5H3/t22-,23-,27?,28-,29?,30+,31+,32?,33-,34+,35-,36+,37-,38+,39-,40-,42?,43?,44?,45+,46-/m1/s1
C46H64O15856.99141100
57641772

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C46H64O15/c1-21(2)16-29-22(3)34-32(58-42(29)55)18-31-28-11-8-25-17-27(12-14-45(25,5)30(28)13-15-46(31,34)20-48)57-44-40(36(51)35(50)33(19-47)59-44)61-43-38(53)37(52)39(23(4)56-43)60-41(54)24-6-9-26(49)10-7-24/h6-10,16,20,22-23,27-40,42-44,47,49-53,55H,11-15,17-19H2,1-5H3/t22-,23+,27+,28-,29?,30+,31+,32+,33-,34+,35-,36+,37+,38-,39+,40-,42-,43+,44-,45+,46-/m1/s1
C46H64O15856.99141100
129306099

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C46H64O15/c1-21(2)16-29-22(3)34-32(58-42(29)55)18-31-28-11-8-25-17-27(12-14-45(25,5)30(28)13-15-46(31,34)20-48)57-44-40(36(51)35(50)33(19-47)59-44)61-43-38(53)37(52)39(23(4)56-43)60-41(54)24-6-9-26(49)10-7-24/h6-10,16,20,22-23,27-40,42-44,47,49-53,55H,11-15,17-19H2,1-5H3/t22-,23+,27+,28-,29+,30+,31+,32+,33-,34+,35-,36+,37+,38-,39+,40-,42-,43+,44-,45+,46-/m1/s1
C46H64O15856.99141100

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