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 4 results

Search term: KVQOKCWRUQHGQR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
163682

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11IN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
C9H11IN2O5354.0985201500
396737

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H11IN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1/i10-4
C9H11123IN2O5350.1942200
19992568

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11IN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6?,7-,8-/m1/s1
C9H11IN2O5354.09852200
57523057

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11IN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7+,8-/m0/s1
C9H11IN2O5354.09851100

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