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: KMSWJWMJGPNOEF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2788753

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H24ClN3O/c1-15-3-5-16(6-4-15)19-14-20-18-13-17(23)7-8-21(18)27-22(26(20)24-19)9-11-25(2)12-10-22/h3-8,13,20H,9-12,14H2,1-2H3
C22H24ClN3O381.89846191200
5566598

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H24ClN3O/c1-15-3-5-16(6-4-15)19-14-20-18-13-17(23)7-8-21(18)27-22(26(20)24-19)9-11-25(2)12-10-22/h3-8,13,20H,9-12,14H2,1-2H3/t20-/m0/s1
C22H24ClN3O381.89852100
5566600

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H24ClN3O/c1-15-3-5-16(6-4-15)19-14-20-18-13-17(23)7-8-21(18)27-22(26(20)24-19)9-11-25(2)12-10-22/h3-8,13,20H,9-12,14H2,1-2H3/t20-/m1/s1
C22H24ClN3O381.89852100
5566599

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H24ClN3O/c1-15-3-5-16(6-4-15)19-14-20-18-13-17(23)7-8-21(18)27-22(26(20)24-19)9-11-25(2)12-10-22/h3-8,13,20H,9-12,14H2,1-2H3/p+1/t20-/m1/s1
C22H25ClN3O382.90591100
5566597

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H24ClN3O/c1-15-3-5-16(6-4-15)19-14-20-18-13-17(23)7-8-21(18)27-22(26(20)24-19)9-11-25(2)12-10-22/h3-8,13,20H,9-12,14H2,1-2H3/p+1/t20-/m0/s1
C22H25ClN3O382.90591100

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