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 5 results

Search term: PROKXHPTCWWSAS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
473793

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H36O8/c1-5-6-23-34-22-11-17-16-10-19(30)18-9-15(29)7-8-25(18,3)24(16)20(31)12-26(17,4)27(22,35-23)21(32)13-33-14(2)28/h7-9,16-17,19-20,22-24,30-31H,5-6,10-13H2,1-4H3
C27H36O8488.569941300
58782078

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H36O8/c1-5-6-23-34-22-11-17-16-10-19(30)18-9-15(29)7-8-25(18,3)24(16)20(31)12-26(17,4)27(22,35-23)21(32)13-33-14(2)28/h7-9,16-17,19-20,22-24,30-31H,5-6,10-13H2,1-4H3/t16-,17-,19-,20-,22+,23?,24+,25-,26-,27+/m0/s1
C27H36O8488.56992200
58785585

9 of 10 defined stereocentres - 9/10 defined

Non-standard isotope
InChI=1/C27H36O8/c1-5-6-23-34-22-11-17-16-10-19(30)18-9-15(29)7-8-25(18,3)24(16)20(31)12-26(17,4)27(22,35-23)21(32)13-33-14(2)28/h7-9,16-17,19-20,22-24,30-31H,5-6,10-13H2,1-4H3/t16-,17-,19+,20-,22+,23?,24+,25-,26-,27+/m0/s1/i1D3,5D2,6D2,23D
C27H28D8O8496.61922400
114811167

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C27H36O8/c1-5-6-23-34-22-11-17-16-10-19(30)18-9-15(29)7-8-25(18,3)24(16)20(31)12-26(17,4)27(22,35-23)21(32)13-33-14(2)28/h7-9,16-17,19-20,22-24,30-31H,5-6,10-13H2,1-4H3/t16-,17-,19?,20-,22+,23?,24+,25-,26-,27+/m0/s1
C27H36O8488.56991100
58785540

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H36O8/c1-5-6-23-34-22-11-17-16-10-19(30)18-9-15(29)7-8-25(18,3)24(16)20(31)12-26(17,4)27(22,35-23)21(32)13-33-14(2)28/h7-9,16-17,19-20,22-24,30-31H,5-6,10-13H2,1-4H3/t16-,17-,19+,20-,22+,23?,24+,25-,26-,27+/m0/s1
C27H36O8488.56991100

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