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: CKPPSIMEWWUEGR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2245659

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H30N4O3/c1-5-28-20(26)18-17(13-25-10-8-24(4)9-11-25)22-21(27)23-19(18)16-12-14(2)6-7-15(16)3/h6-7,12,19H,5,8-11,13H2,1-4H3,(H2,22,23,27)
C21H30N4O3386.4879191600
1049778

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H30N4O3/c1-5-28-20(26)18-17(13-25-10-8-24(4)9-11-25)22-21(27)23-19(18)16-12-14(2)6-7-15(16)3/h6-7,12,19H,5,8-11,13H2,1-4H3,(H2,22,23,27)/t19-/m0/s1
C21H30N4O3386.48792100
1049780

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H30N4O3/c1-5-28-20(26)18-17(13-25-10-8-24(4)9-11-25)22-21(27)23-19(18)16-12-14(2)6-7-15(16)3/h6-7,12,19H,5,8-11,13H2,1-4H3,(H2,22,23,27)/t19-/m1/s1
C21H30N4O3386.48792100
5348086

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H30N4O3/c1-5-28-20(26)18-17(13-25-10-8-24(4)9-11-25)22-21(27)23-19(18)16-12-14(2)6-7-15(16)3/h6-7,12,19H,5,8-11,13H2,1-4H3,(H2,22,23,27)/p+2/t19-/m1/s1
C21H32N4O3388.50271100
5348087

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H30N4O3/c1-5-28-20(26)18-17(13-25-10-8-24(4)9-11-25)22-21(27)23-19(18)16-12-14(2)6-7-15(16)3/h6-7,12,19H,5,8-11,13H2,1-4H3,(H2,22,23,27)/p+2/t19-/m0/s1
C21H32N4O3388.50271100

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