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: PBOWCKIYHDYGKX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3478106

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H25NO6/c1-23-8-7-13-9-19-21(29-12-28-19)22(27-4)20(13)16(23)11-17(24)15-10-14(25-2)5-6-18(15)26-3/h5-6,9-10,16H,7-8,11-12H2,1-4H3
C22H25NO6399.437251200
1392421

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H25NO6/c1-23-8-7-13-9-19-21(29-12-28-19)22(27-4)20(13)16(23)11-17(24)15-10-14(25-2)5-6-18(15)26-3/h5-6,9-10,16H,7-8,11-12H2,1-4H3/t16-/m1/s1
C22H25NO6399.4372100
1392423

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H25NO6/c1-23-8-7-13-9-19-21(29-12-28-19)22(27-4)20(13)16(23)11-17(24)15-10-14(25-2)5-6-18(15)26-3/h5-6,9-10,16H,7-8,11-12H2,1-4H3/t16-/m0/s1
C22H25NO6399.4372100
1392420

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H25NO6/c1-23-8-7-13-9-19-21(29-12-28-19)22(27-4)20(13)16(23)11-17(24)15-10-14(25-2)5-6-18(15)26-3/h5-6,9-10,16H,7-8,11-12H2,1-4H3/p+1/t16-/m1/s1
C22H26NO6400.44441100
1392422

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H25NO6/c1-23-8-7-13-9-19-21(29-12-28-19)22(27-4)20(13)16(23)11-17(24)15-10-14(25-2)5-6-18(15)26-3/h5-6,9-10,16H,7-8,11-12H2,1-4H3/p+1/t16-/m0/s1
C22H26NO6400.44441100

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