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 4 results

Search term: RSJWPLBQUUJPOX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3385484

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H17N3O6/c1-18-10-16(19(23)24)8-7-15(22)17(11-18,20(25)26)14(16)9-13(21)12-5-3-2-4-6-12/h2-8,14H,9-11H2,1H3
C17H17N3O6359.333388500
10039663

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H17N3O6/c1-18-10-16(19(23)24)8-7-15(22)17(11-18,20(25)26)14(16)9-13(21)12-5-3-2-4-6-12/h2-8,14H,9-11H2,1H3/t14-,16+,17-/m1/s1
C17H17N3O6359.33342100
3385483

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H17N3O6/c1-18-10-16(19(23)24)8-7-15(22)17(11-18,20(25)26)14(16)9-13(21)12-5-3-2-4-6-12/h2-8,14H,9-11H2,1H3/p+1
C17H18N3O6360.341321100
10039662

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H17N3O6/c1-18-10-16(19(23)24)8-7-15(22)17(11-18,20(25)26)14(16)9-13(21)12-5-3-2-4-6-12/h2-8,14H,9-11H2,1H3/p+1/t14-,16+,17-/m1/s1
C17H18N3O6360.34081100

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