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 3 results

Search term: YYTQEGATMJLHSO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29213029

Charge

13 of 19 defined stereocentres - 13/19 defined
InChI=1/C41H66O17S.Na/c1-19(2)9-12-25(42)39(8)40(49)16-15-38(7)21-10-11-24-36(4,5)27(13-14-37(24,6)22(21)17-26(43)41(38,40)35(48)57-39)55-34-32(29(45)23(18-53-34)58-59(50,51)52)56-33-31(47)30(46)28(44)20(3)54-33;/h17,19-21,23-34,42-47,49H,9-16,18H2,1-8H3,(H,50,51,52);/q;+1/p-1/t20?,21-,23-,24+,25?,26+,27+,28-,29?,30?,31?,32?,33+,34+,37-,38+,39+,40+,41-;/m1./s1
C41H65NaO17S884.99942200
9403375

Charge

17 of 19 defined stereocentres - 17/19 defined
InChI=1/C41H66O17S.Na/c1-19(2)9-12-25(42)39(8)40(49)16-15-38(7)21-10-11-24-36(4,5)27(13-14-37(24,6)22(21)17-26(43)41(38,40)35(48)57-39)55-34-32(29(45)23(18-53-34)58-59(50,51)52)56-33-31(47)30(46)28(44)20(3)54-33;/h17,19-21,23-34,42-47,49H,9-16,18H2,1-8H3,(H,50,51,52);/q;+1/p-1/t20-,21-,23-,24?,25?,26+,27+,28-,29+,30+,31-,32-,33+,34+,37-,38+,39+,40+,41-;/m1./s1
C41H65NaO17S884.99941100
21431307

Charge

15 of 19 defined stereocentres - 15/19 defined
InChI=1/C41H66O17S.Na/c1-19(2)9-12-25(42)39(8)40(49)16-15-38(7)21-10-11-24-36(4,5)27(13-14-37(24,6)22(21)17-26(43)41(38,40)35(48)57-39)55-34-32(29(45)23(18-53-34)58-59(50,51)52)56-33-31(47)30(46)28(44)20(3)54-33;/h17,19-21,23-34,42-47,49H,9-16,18H2,1-8H3,(H,50,51,52);/q;+1/p-1/t20?,21-,23-,24+,25?,26+,27+,28-,29?,30?,31-,32-,33+,34+,37-,38+,39+,40+,41-;/m1./s1
C41H65NaO17S884.99941100

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