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 7 results

Search term: VLCYCQAOQCDTCN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2902

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
C6H12F2N2O2182.1685901167145012
5360201

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/t6-/m1/s1
C6H12F2N2O2182.16853823610
5036116

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/t6-/m0/s1
C6H12F2N2O2182.1685131400
21258637

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/p+1
C6H13F2N2O2183.17593300
57268401

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/i5+1,6+1,10+1
C413C2H12F2N15NO2185.14723200
5360200

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/p+1/t6-/m1/s1
C6H13F2N2O2183.17592200
5360202

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/p+1/t6-/m0/s1
C6H13F2N2O2183.17591100

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