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 16 results

Search term: MKMPWKUAHLTIBJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28424182

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
C17H20F2N4O3S398.4275787300
29784381

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m0/s1
C17H20F2N4O3S398.4275161100
34957830

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17?/m1/s1
C17H20F2N4O3S398.42753300
37997544

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3
C17H20F2N4O3S398.42753200
107444713

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15-,17-/m1/s1
C17H20F2N4O3S398.42753300
107444714

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15-,17-/m1/s1/i1D3
C17H17D3F2N4O3S401.4461100
107444716

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15-,17+/m1/s1
C17H20F2N4O3S398.42751200
107444717

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15-,17+/m1/s1/i1D3
C17H17D3F2N4O3S401.4461200
107444719

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17+/m1/s1
C17H20F2N4O3S398.42751200
107444721

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17+/m1/s1/i1D3
C17H17D3F2N4O3S401.4461300
107444722

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17+/m0/s1
C17H20F2N4O3S398.42751200
107444723

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17+/m0/s1/i1D3
C17H17D3F2N4O3S401.4461100
107444724

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m0/s1/i1D3
C17H17D3F2N4O3S401.4461100
114815382

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15-,17-/m0/s1
C17H20F2N4O3S398.42751100
115009811

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15-,17+/m0/s1/i1D3
C17H17D3F2N4O3S401.4461100
107444712

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1/i1D3
C17H17D3F2N4O3S401.4461100

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