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: XJJKLJHRSWOKPT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4328543

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H16N4O3/c26-21-17(10-9-14-6-4-12-23-20(14)21)19(24-18-8-1-2-11-22-18)15-5-3-7-16(13-15)25(27)28/h1-13,19,26H,(H,22,24)
C21H16N4O3372.37674281500
1254202

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16N4O3/c26-21-17(10-9-14-6-4-12-23-20(14)21)19(24-18-8-1-2-11-22-18)15-5-3-7-16(13-15)25(27)28/h1-13,19,26H,(H,22,24)/t19-/m0/s1
C21H16N4O3372.37672100
1254203

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16N4O3/c26-21-17(10-9-14-6-4-12-23-20(14)21)19(24-18-8-1-2-11-22-18)15-5-3-7-16(13-15)25(27)28/h1-13,19,26H,(H,22,24)/t19-/m1/s1
C21H16N4O3372.37672100
5490478

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16N4O3/c26-21-17(10-9-14-6-4-12-23-20(14)21)19(24-18-8-1-2-11-22-18)15-5-3-7-16(13-15)25(27)28/h1-13,19,26H,(H,22,24)/p+1/t19-/m0/s1
C21H17N4O3373.38411100
5490479

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16N4O3/c26-21-17(10-9-14-6-4-12-23-20(14)21)19(24-18-8-1-2-11-22-18)15-5-3-7-16(13-15)25(27)28/h1-13,19,26H,(H,22,24)/p+1/t19-/m1/s1
C21H17N4O3373.38411100

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