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 3 results

Search term: RKIRVRRITCVWHD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2872777

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C43H52N4O5/c44-38-13-7-8-14-39(38)46-42(50)16-4-1-3-15-41(49)45-28-35-11-5-6-12-37(35)32-21-23-34(24-22-32)43-51-36(29-47-25-9-2-10-26-47)27-40(52-43)33-19-17-31(30-48)18-20-33/h5-8,11-14,17-24,36,40,43,48H,1-4,9-10,15-16,25-30,44H2,(H,45,49)(H,46,50)
C43H52N4O5704.8967799999982100
5104611

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H52N4O5/c44-38-13-7-8-14-39(38)46-42(50)16-4-1-3-15-41(49)45-28-35-11-5-6-12-37(35)32-21-23-34(24-22-32)43-51-36(29-47-25-9-2-10-26-47)27-40(52-43)33-19-17-31(30-48)18-20-33/h5-8,11-14,17-24,36,40,43,48H,1-4,9-10,15-16,25-30,44H2,(H,45,49)(H,46,50)/t36-,40+,43+/m1/s1
C43H52N4O5704.89682100
5108211

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H52N4O5/c44-38-13-7-8-14-39(38)46-42(50)16-4-1-3-15-41(49)45-28-35-11-5-6-12-37(35)32-21-23-34(24-22-32)43-51-36(29-47-25-9-2-10-26-47)27-40(52-43)33-19-17-31(30-48)18-20-33/h5-8,11-14,17-24,36,40,43,48H,1-4,9-10,15-16,25-30,44H2,(H,45,49)(H,46,50)/t36-,40+,43+/m0/s1
C43H52N4O5704.89682100

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