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: SSISHJJTAXXQAX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4508619

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
C9H15N3O2S229.2993659324860
2297320

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)
C9H15N3O2S229.29932323100
2297321

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1
C9H16N3O2S230.30724111000
2300896

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1
C9H16N3O2S230.307249800
48061707

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1/i1D3
C9H12D3N3O2S232.31785500
58784336

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1/i1D3,2D3,3D3
C9H6D9N3O2S238.35485600
2276138

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m1/s1
C9H16N3O2S230.307245300
58784363

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/i7+1,10+1,11+1
C813CH15N15N2O2S232.27882200
4508485

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m1/s1
C9H15N3O2S229.29932200
95666730

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p-1
C9H14N3O2S228.29191100
107433401

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/i1D3
C9H12D3N3O2S232.31781300
115008972

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/i1D3,2D3,3D3
C9H6D9N3O2S238.35481100

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