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: NIUNKPWHNGMQRE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13827

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
C6H11O6PS2274.2517293500
11262924

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)/p-2
C6H9O6PS2272.23692200
34992230

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)/t4-/m1/s1
C6H11O6PS2274.25171100
34992231

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)/t4-/m0/s1
C6H11O6PS2274.25171100
72370398

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)/i1D3,2D3
C6H5D6O6PS2280.28871200

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