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 9 results

Search term: WGLLPAPKWFDHHV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
393470

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7+/m1/s1
C7H12O7208.166102400
394117

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7-/m1/s1
C7H12O7208.16671000
3822645

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)
C7H12O7208.1663200
61451215

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7?/m1/s1
C7H12O7208.1663300
393950

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5?,7+/m1/s1
C7H12O7208.1662200
71116765

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3?,4-,5?,7+/m0/s1
C7H12O7208.1662200
107442578

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7?/m1/s1/i1D3
C7H9D3O7211.18452200
108529018

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3?,4+,5?,7+/m0/s1
C7H12O7208.1661100
61600494

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5-,7?/m1/s1
C7H12O7208.1661100

Advertisement