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: PWPJGUXAGUPAHP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
64813


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)
C17H8Cl2F8N2O3511.150210211500
94269882

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)/i4+1,5+1,6+1,7+1,10+1,11+1
C1113C6H8Cl2F8N2O3517.10625400
58783194

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)/i1+1,2+1,3+1,8+1,9+1,12+1,13+1
C1013C7H8Cl2F8N2O3518.09882200
71047554

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)/i8+2
C1614CH8Cl2F8N2O3513.14281200
71047936

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)/i7+2
C1614CH8Cl2F8N2O3513.14281100
24740588

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)/t14-/m1/s1
C17H8Cl2F8N2O3511.15021100
34993288

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)/t14-/m0/s1
C17H8Cl2F8N2O3511.15021100
128918351

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)/i1D,2D,3D
C17H5D3Cl2F8N2O3514.16871100

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