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: CAKWIRNQEKMHOR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
599784

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17NO2/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2/t16-/m0/s1
C17H17NO2267.3224412800
3222006

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H17NO2/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2
C17H17NO2267.3224201900
599783

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17NO2/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2/t16-/m1/s1
C17H17NO2267.32247400
5296576

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17NO2/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2/p+1/t16-/m1/s1
C17H18NO2268.330321100
5296577

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17NO2/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2/p+1/t16-/m0/s1
C17H18NO2268.330321100

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