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: VVNCNSJFMMFHPL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5643

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
C5H11NO2S149.211314623416169422
4565

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
C5H11NO2S149.211312124603
83829

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1
C5H11NO2S149.2113102197235035
9052585

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1/i1D3/t3-,5?
C5H8D3NO2S152.22989800
48062822

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1/i1D3,2D3
C5H5D6NO2S155.24834500
95690455

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/p-2
C5H9NO2S147.19661100
111311371

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1/i1D3,2D3
C5H5D6NO2S155.24831100
25935470

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/p-1/t3-/m0/s1
C5H10NO2S148.20391288
25945392

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/p-1/t3-/m1/s1
C5H10NO2S148.2039131119

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