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
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Found 8 results

Search term: PGEYFCBAWGQSGT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5379360

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/t2-,3+/m1/s1
C5H9FN2O3164.135323600
5528427

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/t2-,3+/m0/s1
C5H9FN2O3164.135181400
5379362

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/t2-,3-/m0/s1
C5H9FN2O3164.13515800
2018965

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)
C5H9FN2O3164.1349632141400
5528429

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/t2-,3-/m1/s1
C5H9FN2O3164.135121000
24188562

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/t2?,3-/m0/s1
C5H9FN2O3164.1359700
64880073

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/i6-1
C5H918FN2O3163.13752200
52083317

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/t2-,3+/m1/s1/i6-1
C5H918FN2O3163.13751200

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