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: OWEZHPRMUFSMFC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7987342

Charge

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C40H40O18/c1-14(30-23(46)11-20(43)17-9-25(48)36(57-38(17)30)15-4-5-19(42)22(45)6-15)31-24(47)12-21(44)18-10-28(55-40-35(52)34(51)33(50)29(13-41)56-40)37(58-39(18)31)16-7-26(53-2)32(49)27(8-16)54-3/h4-8,10-12,14,25,29,33-36,40-41,48,50-52H,9,13H2,1-3H3,(H6-,42,43,44,45,46,47,49)/p+1/t14?,25-,29-,33-,34+,35-,36-,40?/m1/s1
C40H41O18809.74221100
13170147

Charge

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C40H40O18/c1-14(30-23(46)11-20(43)17-9-25(48)36(57-38(17)30)15-4-5-19(42)22(45)6-15)31-24(47)12-21(44)18-10-28(55-40-35(52)34(51)33(50)29(13-41)56-40)37(58-39(18)31)16-7-26(53-2)32(49)27(8-16)54-3/h4-8,10-12,14,25,29,33-36,40-41,48,50-52H,9,13H2,1-3H3,(H6-,42,43,44,45,46,47,49)/p+1/t14?,25?,29-,33-,34+,35-,36?,40+/m1/s1
C40H41O18809.74221100

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