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
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Single/Multi-component
Isotopically Labeled
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Found 8 results

Search term: AHFWIQIYAXSLBA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8629286

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
C21H21FO5S404.45186210100
84400539

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1/i10+1,16+1,18+1,19+1,20+1,21+1
C1513C6H21FO5S410.40783300
107444222

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1/i1D,2D,3D,4D,8D
C21H16D5FO5S409.48272200
115040656

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18+,19+,20-,21+/m1/s1
C21H21FO5S404.45182200
45382230

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2
C21H21FO5S404.45182100
58782590

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16?,18-,19+,20?,21+/m1/s1
C21H21FO5S404.45181100
82963440

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21-/m1/s1
C21H21FO5S404.45181100

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