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 3 results

Search term: HQCMZPSKQKKDKT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4461699

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H16F3N5O/c1-12-16(18(29)27-15-5-3-2-4-6-15)17(28-19(26-12)24-11-25-28)13-7-9-14(10-8-13)20(21,22)23/h2-11,17H,1H3,(H,27,29)(H,24,25,26)
C20H16F3N5O399.3691496221800
5661339

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H16F3N5O/c1-12-16(18(29)27-15-5-3-2-4-6-15)17(28-19(26-12)24-11-25-28)13-7-9-14(10-8-13)20(21,22)23/h2-11,17H,1H3,(H,27,29)(H,24,25,26)/t17-/m0/s1
C20H16F3N5O399.36912100
5661340

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H16F3N5O/c1-12-16(18(29)27-15-5-3-2-4-6-15)17(28-19(26-12)24-11-25-28)13-7-9-14(10-8-13)20(21,22)23/h2-11,17H,1H3,(H,27,29)(H,24,25,26)/t17-/m1/s1
C20H16F3N5O399.36912100

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