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: FSQXVCNWJMITHZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5140931

25 of 29 defined stereocentres - 25/29 defined
InChI=1/C47H79NO21/c1-19-7-12-47(48-14-19)20(2)45(3)11-9-24-23(40(45)69-47)6-5-21-13-22(8-10-46(21,24)4)62-41-35(59)33(57)37(28(17-51)65-41)66-43-36(60)38(31(55)27(16-50)64-43)67-44-39(29(53)25(52)18-61-44)68-42-34(58)32(56)30(54)26(15-49)63-42/h19-44,48-60H,5-18H2,1-4H3/t19-,20-,21?,22-,23?,24?,25+,26+,27+,28+,29-,30+,31+,32-,33+,34+,35+,36+,37-,38-,39+,40?,41-,42+,43+,44+,45+,46-,47-/m0/s1
C47H79NO21994.12435300
3447520

0 of 29 defined stereocentres - 0/29 defined
InChI=1/C47H79NO21/c1-19-7-12-47(48-14-19)20(2)45(3)11-9-24-23(40(45)69-47)6-5-21-13-22(8-10-46(21,24)4)62-41-35(59)33(57)37(28(17-51)65-41)66-43-36(60)38(31(55)27(16-50)64-43)67-44-39(29(53)25(52)18-61-44)68-42-34(58)32(56)30(54)26(15-49)63-42/h19-44,48-60H,5-18H2,1-4H3
C47H79NO21994.1242599999982100
26371496

12 of 29 defined stereocentres - 12/29 defined
InChI=1/C47H79NO21/c1-19-7-12-47(48-14-19)20(2)45(3)11-9-24-23(40(45)69-47)6-5-21-13-22(8-10-46(21,24)4)62-41-35(59)33(57)37(28(17-51)65-41)66-43-36(60)38(31(55)27(16-50)64-43)67-44-39(29(53)25(52)18-61-44)68-42-34(58)32(56)30(54)26(15-49)63-42/h19-44,48-60H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28-,29+,30?,31-,32?,33?,34?,35?,36?,37-,38+,39-,40?,41-,42+,43-,44?,45+,46+,47-/m0/s1
C47H79NO21994.1242600000011100

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