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: WBDUEEUDATVNEQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3777298

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H19N3O5/c1-12-8-10-13(11-9-12)24-18-16(17(22-24)21(27)29-3)19(25)23(20(18)26)14-6-4-5-7-15(14)28-2/h4-11,16,18H,1-3H3
C21H19N3O5393.39266231400
5027579

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19N3O5/c1-12-8-10-13(11-9-12)24-18-16(17(22-24)21(27)29-3)19(25)23(20(18)26)14-6-4-5-7-15(14)28-2/h4-11,16,18H,1-3H3/t16-,18+/m0/s1
C21H19N3O5393.39272100
5567095

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19N3O5/c1-12-8-10-13(11-9-12)24-18-16(17(22-24)21(27)29-3)19(25)23(20(18)26)14-6-4-5-7-15(14)28-2/h4-11,16,18H,1-3H3/t16-,18-/m0/s1
C21H19N3O5393.39272100
1175836

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19N3O5/c1-12-8-10-13(11-9-12)24-18-16(17(22-24)21(27)29-3)19(25)23(20(18)26)14-6-4-5-7-15(14)28-2/h4-11,16,18H,1-3H3/t16-,18-/m1/s1
C21H19N3O5393.39272100
1175837

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H19N3O5/c1-12-8-10-13(11-9-12)24-18-16(17(22-24)21(27)29-3)19(25)23(20(18)26)14-6-4-5-7-15(14)28-2/h4-11,16,18H,1-3H3/t16-,18+/m1/s1
C21H19N3O5393.39272100

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