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: BJVVMKUXKQHWJK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7976

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
C11H16N2O3224.2563497226
21234773

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)/t7-/m1/s1
C11H16N2O3224.25633200
48063287

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)/i1D2,4D,6D2
C11H11D5N2O3229.28723600
34984933

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)/t7-/m0/s1
C11H16N2O3224.25632200
95761762

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)/p-1
C11H15N2O3223.24891100

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