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 10 results

Search term: KQPKPCNLIDLUMF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5005

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
C12H18N2O3238.282965508437214
28897

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/t8-/m1/s1
C12H18N2O3238.28291822436215
27886

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/t8-/m0/s1
C12H18N2O3238.2829161900
24533170

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/i2D2,5D,7D2
C12H13D5N2O3243.31374900
24533171

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/i3D3,6D2
C12H13D5N2O3243.31373100
48061286

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/i3D3
C12H15D3N2O3241.30143300
95631272

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/p-2
C12H16N2O3236.26811100
95631273

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/i/hD2
C12H16D2N2O3240.29521100
114412102

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/i9+1,10+1,11+1,12+1
C813C4H18N2O3242.25351100

Advertisement