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 18 results

Search term: XTNGUQKDFGDXSJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26333259

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
C24H25FO5S444.51578416200
32792989

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24-/m1/s1
C24H25FO5S444.5157161200
68004059

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1/i4D,5D,6D,7D
C24H21D4FO5S448.5404121300
26606469

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24?/m1/s1
C24H25FO5S444.515710600
30922970

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3
C24H25FO5S444.51576500
114391157

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23+,24-/m1/s1
C24H25FO5S444.51572200
58131793

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23+,24+/m1/s1
C24H25FO5S444.51572200
128925554

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21+,22+,23-,24-/m1/s1
C24H25FO5S444.51571100
128926613

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21+,22+,23-,24+/m1/s1
C24H25FO5S444.51571100
128926868

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21+,22+,23-,24+/m1/s1/i4D,5D,6D,7D
C24H21D4FO5S448.54041100
34998342

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19?,21-,22?,23?,24+/m1/s1
C24H25FO5S444.51571100
74178744

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21?,22+,23-,24-/m1/s1
C24H25FO5S444.51571100
76920238

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21+,22-,23-,24-/m0/s1
C24H25FO5S444.51571100
78310050

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24?/m0/s1
C24H25FO5S444.51571100
107443402

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1/i1D3,2D,3D,10D
C24H19D6FO5S450.55271100
107444391

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19?,21-,22?,23+,24-/m0/s1
C24H25FO5S444.51571100
107444463

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22?,23+,24+/m0/s1
C24H25FO5S444.51571100

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