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 2 results

Search term: XASILDAGSAIYQL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
27022994

Charge

16 of 22 defined stereocentres - 16/22 defined
InChI=1/C40H70O17S.Na/c1-7-21(20(3)16-53-36-34(32(26(44)18-54-36)57-58(49,50)51)56-37-33(52-6)29(45)25(43)17-55-37)9-8-19(2)28-30(46)31(47)35-39(28,5)13-11-27-38(4)12-10-22(41)14-23(38)24(42)15-40(27,35)48;/h19-37,41-48H,7-18H2,1-6H3,(H,49,50,51);/q;+1/p-1/t19-,20?,21?,22+,23-,24+,25-,26-,27-,28+,29?,30-,31-,32?,33?,34?,35-,36-,37+,38+,39-,40+;/m1./s1
C40H69NaO17S877.02042200
21431306

Charge

18 of 22 defined stereocentres - 18/22 defined
InChI=1/C40H70O17S.Na/c1-7-21(20(3)16-53-36-34(32(26(44)18-54-36)57-58(49,50)51)56-37-33(52-6)29(45)25(43)17-55-37)9-8-19(2)28-30(46)31(47)35-39(28,5)13-11-27-38(4)12-10-22(41)14-23(38)24(42)15-40(27,35)48;/h19-37,41-48H,7-18H2,1-6H3,(H,49,50,51);/q;+1/p-1/t19-,20?,21?,22+,23-,24+,25-,26-,27-,28+,29?,30-,31-,32+,33-,34?,35-,36-,37+,38+,39-,40+;/m1./s1
C40H69NaO17S877.02041100

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