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: JBYAZZAKYCZNFQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3171099

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H23ClFN3O/c1-3-5-12-24-18(4-2)20-25-19-9-7-6-8-15(19)21(27)26(20)14-10-11-17(23)16(22)13-14/h6-11,13,18,24H,3-5,12H2,1-2H3
C21H23ClFN3O387.87823100
5600827

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23ClFN3O/c1-3-5-12-24-18(4-2)20-25-19-9-7-6-8-15(19)21(27)26(20)14-10-11-17(23)16(22)13-14/h6-11,13,18,24H,3-5,12H2,1-2H3/t18-/m0/s1
C21H23ClFN3O387.87822100
5600833

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23ClFN3O/c1-3-5-12-24-18(4-2)20-25-19-9-7-6-8-15(19)21(27)26(20)14-10-11-17(23)16(22)13-14/h6-11,13,18,24H,3-5,12H2,1-2H3/t18-/m1/s1
C21H23ClFN3O387.87822100
5600832

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23ClFN3O/c1-3-5-12-24-18(4-2)20-25-19-9-7-6-8-15(19)21(27)26(20)14-10-11-17(23)16(22)13-14/h6-11,13,18,24H,3-5,12H2,1-2H3/p+1/t18-/m1/s1
C21H24ClFN3O388.88561100
5600826

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23ClFN3O/c1-3-5-12-24-18(4-2)20-25-19-9-7-6-8-15(19)21(27)26(20)14-10-11-17(23)16(22)13-14/h6-11,13,18,24H,3-5,12H2,1-2H3/p+1/t18-/m0/s1
C21H24ClFN3O388.88561100

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