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: BWUMVFCXSYXUOV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5145943

20 of 25 defined stereocentres - 20/25 defined
InChI=1/C45H73NO15/c1-20-6-9-28-21(2)33-29(46(28)17-20)15-27-25-8-7-23-14-24(10-12-43(23,4)26(25)11-13-44(27,33)5)59-45(61-42-40(55)37(52)34(49)22(3)56-42)16-30(35(50)32(19-48)60-45)57-41-39(54)38(53)36(51)31(18-47)58-41/h7,20-22,24-42,47-55H,6,8-19H2,1-5H3/t20-,21+,22?,24-,25+,26-,27-,28+,29-,30+,31?,32?,33-,34-,35+,36+,37-,38+,39?,40?,41+,42+,43-,44-,45-/m0/s1
C45H73NO15868.05884300
5036647

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C45H73NO15/c1-20-6-9-28-21(2)33-29(46(28)17-20)15-27-25-8-7-23-14-24(10-12-43(23,4)26(25)11-13-44(27,33)5)59-45(61-42-40(55)37(52)34(49)22(3)56-42)16-30(35(50)32(19-48)60-45)57-41-39(54)38(53)36(51)31(18-47)58-41/h7,20-22,24-42,47-55H,6,8-19H2,1-5H3/t20-,21+,22-,24-,25+,26-,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42+,43-,44+,45+/m0/s1
C45H73NO15868.05883300

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