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 8 results

Search term: NJPPVKZQTLUDBO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
84442

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
C17H9ClF8N2O4492.704680111370
34995777

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)/t14-/m1/s1
C17H9ClF8N2O4492.70462100
107436933

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)/i4D,5D,6D
C17H6D3ClF8N2O4495.72312200
107436935

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)/i4+1,5+1,6+1,7+1,8+1,11+1
C1113C6H9ClF8N2O4498.66052200
107436943

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)/i1D,2D,3D
C17H6D3ClF8N2O4495.72312200
34995778

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)/t14-/m0/s1
C17H9ClF8N2O4492.70461100
71047633

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)/i4+2,5+2,6+2,7+2,8+2,11+2
C1114C6H9ClF8N2O4504.65981100
71048132

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)/i1+2,2+2,3+2,9+2,10+2,12+2
C1114C6H9ClF8N2O4504.65981100

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