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 14 results

Search term: UQCNKQCJZOAFTQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447650

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
C17H19NO4301.3371599037827
4478

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3
C17H19NO4301.33711424200
23936952

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1/i1D3
C17H16D3NO4304.355561900
4514249

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17?/m1/s1
C17H19NO4301.33714400
23135881

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12?,15-,16-,17+/m0/s1
C17H19NO4301.33712200
4423357

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/p+1
C17H20NO4302.3452300
25992273

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15-,16-,17+/m0/s1
C17H19NO4301.33712100
57530496

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15-,16-,17+/m0/s1/i1D3
C17H16D3NO4304.35552200
58783396

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15?,16+,17-/m1/s1/i1D3
C17H16D3NO4304.35551100
58791486

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1/i2D,3D/hD
C17H16D3NO4304.35551100
107449084

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1/i1+1D3
C1613CH16D3NO4305.34821400
24818110

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12?,15?,16-,17+/m0/s1
C17H19NO4301.33711100

Advertisement