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 15 results

Search term: SUBDBMMJDZJVOS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4433


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
C17H19N3O3S345.41611847531623750
7843323

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1
C17H19N3O3S345.4161691057319
7853936

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m1/s1
C17H19N3O3S345.4161445400
23630303

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3
C17H16D3N3O3S348.4345222700
24533419

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i5D,6D,7D
C17H16D3N3O3S348.434591200
62877012

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3+1D3
C1613CH16D3N3O3S349.42727700
58790123

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D2,7D
C17H16D3N3O3S348.43454500
68023502

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3+1
C1613CH19N3O3S346.40873400
68896251

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1/i3D3
C17H16D3N3O3S348.43452200
107450790

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1/i5D,6D,7D
C17H16D3N3O3S348.43452200
95667404

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i/hD
C17H18DN3O3S346.42221100
62917828

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3,5D,6D,7D
C17H13D6N3O3S351.4531100
62812547

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1/i4D3
C17H16D3N3O3S348.43451100
17268989

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i1D3,2D3,3D3,4D3,8D,9D2
C17H4D15N3O3S360.50851100
7848588

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/p+1/t24-/m0/s1
C17H20N3O3S346.42351100

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