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: XWWMQNAARGEOAT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2234790

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H13F3N4O/c1-10-6-5-9-20-12(10)22-15(16(17,18)19)14(24)21-13(23-15)11-7-3-2-4-8-11/h2-9H,1H3,(H,20,22)(H,21,23,24)
C16H13F3N4O334.2958296232400
1449368

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H13F3N4O/c1-10-6-5-9-20-12(10)22-15(16(17,18)19)14(24)21-13(23-15)11-7-3-2-4-8-11/h2-9H,1H3,(H,20,22)(H,21,23,24)/t15-/m0/s1
C16H13F3N4O334.29582100
1449370

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H13F3N4O/c1-10-6-5-9-20-12(10)22-15(16(17,18)19)14(24)21-13(23-15)11-7-3-2-4-8-11/h2-9H,1H3,(H,20,22)(H,21,23,24)/t15-/m1/s1
C16H13F3N4O334.29582100
1449367

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H13F3N4O/c1-10-6-5-9-20-12(10)22-15(16(17,18)19)14(24)21-13(23-15)11-7-3-2-4-8-11/h2-9H,1H3,(H,20,22)(H,21,23,24)/p+1/t15-/m0/s1
C16H14F3N4O335.30321100
1449369

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H13F3N4O/c1-10-6-5-9-20-12(10)22-15(16(17,18)19)14(24)21-13(23-15)11-7-3-2-4-8-11/h2-9H,1H3,(H,20,22)(H,21,23,24)/p+1/t15-/m1/s1
C16H14F3N4O335.30321100

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