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 6 results

Search term: XLBCKHQLKVRGAX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10475209

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C54H76N2O11/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-65-53(26,64)43(60)22-46(3,4)62)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,63)27(2)54(66-45)44(61)23-47(5,24-57)67-54/h14,19,26-32,34-35,41,43-45,57-58,60-64H,9-13,15-18,20-25H2,1-8H3/t26-,27+,28+,29+,30+,31-,32-,34+,35+,41-,43-,44-,45+,47+,48+,49+,50-,51-,52-,53?,54+/m1/s1
C54H76N2O11929.1885500
2976325

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C54H76N2O11/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-65-53(26,64)43(60)22-46(3,4)62)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,63)27(2)54(66-45)44(61)23-47(5,24-57)67-54/h14,19,26-32,34-35,41,43-45,57-58,60-64H,9-13,15-18,20-25H2,1-8H3
C54H76N2O11929.1880399999983200
5143383

12 of 21 defined stereocentres - 12/21 defined
InChI=1/C54H76N2O11/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-65-53(26,64)43(60)22-46(3,4)62)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,63)27(2)54(66-45)44(61)23-47(5,24-57)67-54/h14,19,26-32,34-35,41,43-45,57-58,60-64H,9-13,15-18,20-25H2,1-8H3/t26?,27?,28?,29?,30?,31?,32-,34?,35?,41-,43?,44-,45+,47+,48+,49+,50-,51-,52-,53+,54+/m0/s1
C54H76N2O11929.1883200
10142990

11 of 21 defined stereocentres - 11/21 defined
InChI=1/C54H76N2O11/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-65-53(26,64)43(60)22-46(3,4)62)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,63)27(2)54(66-45)44(61)23-47(5,24-57)67-54/h14,19,26-32,34-35,41,43-45,57-58,60-64H,9-13,15-18,20-25H2,1-8H3/t26?,27?,28?,29?,30?,31?,32-,34?,35?,41-,43?,44?,45+,47+,48+,49+,50-,51-,52-,53+,54+/m0/s1
C54H76N2O11929.1882200
30809985

15 of 21 defined stereocentres - 15/21 defined
InChI=1/C54H76N2O11/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-65-53(26,64)43(60)22-46(3,4)62)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,63)27(2)54(66-45)44(61)23-47(5,24-57)67-54/h14,19,26-32,34-35,41,43-45,57-58,60-64H,9-13,15-18,20-25H2,1-8H3/t26-,27+,28?,29?,30?,31?,32+,34?,35?,41+,43-,44+,45-,47-,48-,49-,50+,51+,52+,53-,54-/m1/s1
C54H76N2O11929.1881100
129306114

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C54H76N2O11/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-65-53(26,64)43(60)22-46(3,4)62)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,63)27(2)54(66-45)44(61)23-47(5,24-57)67-54/h14,19,26-32,34-35,41,43-45,57-58,60-64H,9-13,15-18,20-25H2,1-8H3/t26-,27+,28+,29+,30+,31-,32-,34+,35+,41-,43-,44-,45+,47+,48+,49+,50-,51-,52-,53+,54+/m1/s1
C54H76N2O11929.1881100

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