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 7 results

Search term: MXRPNYMMDLFYDL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
97289

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)/t5-/m0/s1
C7H12N2O4S220.2462357200
3687044

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)
C7H12N2O4S220.24618343730
48057669

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)/t5-/m0/s1/i1D3
C7H9D3N2O4S223.264791000
64808954

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)/t5-/m1/s1
C7H12N2O4S220.24625600
95532192

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)/t5-/m0/s1/i3+1,5+1,6+1,9+1
C413C3H12N15NO4S224.21762500
111133641

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)/i1D3
C7H9D3N2O4S223.26471100

Advertisement