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 12 results

Search term: FFFHZYDWPBMWHY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
757


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
C4H9NO2S135.1848135810913879367
82666

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
C4H9NO2S135.184810921097851
118632

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
C4H9NO2S135.18486561194
24533094

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/i1D2,2D2
C4H5D4NO2S139.2094121500
26332962

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/p-1/t3-/m0/s1
C4H8NO2S134.17742200
8329592

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/i3+1
C313CH9NO2S136.17742100
20171472

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/p-1
C4H8NO2S134.17742200
48062515

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1/i1D2,2D2
C4H5D4NO2S139.20942500
65792109

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1/i1D,3D/hD2/t1?,3-
C4H5D4NO2S139.20941100
95789808

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/p-2
C4H7NO2S133.171100
111310839

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1/i1D2,2D2
C4H5D4NO2S139.20941100
32974638

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1/i8+3
C4H9NO235S138.08881100

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