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: BJJRLNGOOBKOPX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2225486

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H16N4O3/c26-21(27)16(9-12-10-22-15-7-3-1-5-13(12)15)25-20-19-18(23-11-24-20)14-6-2-4-8-17(14)28-19/h1-8,10-11,16,22H,9H2,(H,26,27)(H,23,24,25)
C21H16N4O3372.37674201100
5025808

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16N4O3/c26-21(27)16(9-12-10-22-15-7-3-1-5-13(12)15)25-20-19-18(23-11-24-20)14-6-2-4-8-17(14)28-19/h1-8,10-11,16,22H,9H2,(H,26,27)(H,23,24,25)/t16-/m0/s1
C21H16N4O3372.37674300
928824

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16N4O3/c26-21(27)16(9-12-10-22-15-7-3-1-5-13(12)15)25-20-19-18(23-11-24-20)14-6-2-4-8-17(14)28-19/h1-8,10-11,16,22H,9H2,(H,26,27)(H,23,24,25)/t16-/m1/s1
C21H16N4O3372.37672100
5336572

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16N4O3/c26-21(27)16(9-12-10-22-15-7-3-1-5-13(12)15)25-20-19-18(23-11-24-20)14-6-2-4-8-17(14)28-19/h1-8,10-11,16,22H,9H2,(H,26,27)(H,23,24,25)/p-1/t16-/m1/s1
C21H15N4O3371.36931100
5437182

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H16N4O3/c26-21(27)16(9-12-10-22-15-7-3-1-5-13(12)15)25-20-19-18(23-11-24-20)14-6-2-4-8-17(14)28-19/h1-8,10-11,16,22H,9H2,(H,26,27)(H,23,24,25)/p-1/t16-/m0/s1
C21H15N4O3371.36931100

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