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: RNNUEBJDQFUHGF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
88301266

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-8-10-39(11-9-35)73(65,66)59-16-20-71-24-22-69-18-14-57-49(63)55-12-3-4-13-56-50(64)58-15-19-70-23-25-72-21-17-60-74(67,68)40-7-5-6-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-11,26-30,43-44,59-60H,3-4,12-25,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1
C50H66Cl4N8O10S21145.04862200
88301578

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-8-10-39(11-9-35)73(65,66)59-16-20-71-24-22-69-18-14-57-49(63)55-12-3-4-13-56-50(64)58-15-19-70-23-25-72-21-17-60-74(67,68)40-7-5-6-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-11,26-30,43-44,59-60H,3-4,12-25,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44+/m1/s1
C50H66Cl4N8O10S21145.04862200

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