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
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Found 2 results

Search term: MQJWTCCWRJYVPR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8638751

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C47H66O15/c1-22(2)17-30-23(3)35-33(59-43(30)55)19-32-29-12-9-26-18-28(13-15-46(26,5)31(29)14-16-47(32,35)21-49)58-45-41(37(51)36(50)34(20-48)60-45)62-44-39(53)38(52)40(24(4)57-44)61-42(54)25-7-10-27(56-6)11-8-25/h7-11,17,21,23-24,28-41,43-45,48,50-53,55H,12-16,18-20H2,1-6H3/t23-,24+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37+,38+,39-,40+,41-,43-,44+,45-,46+,47-/m1/s1
C47H66O15871.01793200
8804829

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C47H66O15/c1-22(2)17-30-23(3)35-33(59-43(30)55)19-32-29-12-9-26-18-28(13-15-46(26,5)31(29)14-16-47(32,35)21-49)58-45-41(37(51)36(50)34(20-48)60-45)62-44-39(53)38(52)40(24(4)57-44)61-42(54)25-7-10-27(56-6)11-8-25/h7-11,17,21,23-24,28-41,43-45,48,50-53,55H,12-16,18-20H2,1-6H3/t23-,24+,28?,29-,30-,31+,32+,33+,34-,35+,36-,37+,38+,39-,40+,41-,43-,44+,45-,46+,47-/m1/s1
C47H66O15871.01792100

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