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 9 results

Search term: SJSOKMKUAWKDDB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3077104

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H16F3NO2/c13-12(14,15)11(18)7-16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,16-18H,6-8H2
C12H16F3NO2263.2561202200
5446604

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16F3NO2/c13-12(14,15)11(18)7-16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,16-18H,6-8H2/t10-,11-/m0/s1
C12H16F3NO2263.25612100
5446606

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16F3NO2/c13-12(14,15)11(18)7-16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,16-18H,6-8H2/t10-,11+/m1/s1
C12H16F3NO2263.25612100
5446608

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16F3NO2/c13-12(14,15)11(18)7-16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,16-18H,6-8H2/t10-,11+/m0/s1
C12H16F3NO2263.25612100
5446610

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16F3NO2/c13-12(14,15)11(18)7-16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,16-18H,6-8H2/t10-,11-/m1/s1
C12H16F3NO2263.25612100
5446609

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16F3NO2/c13-12(14,15)11(18)7-16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,16-18H,6-8H2/p+1/t10-,11-/m1/s1
C12H17F3NO2264.26351100
5446607

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16F3NO2/c13-12(14,15)11(18)7-16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,16-18H,6-8H2/p+1/t10-,11+/m0/s1
C12H17F3NO2264.26351100
5446605

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16F3NO2/c13-12(14,15)11(18)7-16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,16-18H,6-8H2/p+1/t10-,11+/m1/s1
C12H17F3NO2264.26351100
5446603

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16F3NO2/c13-12(14,15)11(18)7-16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,16-18H,6-8H2/p+1/t10-,11-/m0/s1
C12H17F3NO2264.26351100

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