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: MSFSPUZXLOGKHJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17346953

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3?,4-,5-,6-,7-,9+/m1/s1
C9H17NO7251.2338342800
389857

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9?/m1/s1
C9H17NO7251.2338232847040
7992151

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9+/m1/s1
C9H17NO7251.233817277295323
383435

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)
C9H17NO7251.23381329800
394190

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9-/m1/s1
C9H17NO7251.2338101847040
17216223

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7+,9-/m1/s1
C9H17NO7251.23386601
4954554

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3?,4-,5-,6-,7-,9-/m1/s1
C9H17NO7251.23383300
59700613

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7+,9+/m1/s1
C9H17NO7251.23382100
62572897

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4+,5+,6+,7+,9-/m0/s1
C9H17NO7251.23382200
62572905

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4+,5-,6+,7+,9+/m1/s1
C9H17NO7251.23382200
62572908

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4+,5+,6-,7-,9-/m1/s1
C9H17NO7251.23382200
62572917

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4+,5-,6+,7-,9-/m1/s1
C9H17NO7251.23382200
110094614

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3?,4-,5-,6+,7-,9+/m1/s1
C9H17NO7251.23381100
113061850

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9?/m1/s1/i10+1
C9H1715NO7252.22721100
114101250

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9?/m0/s1
C9H17NO7251.23381100
114393447

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3?,4-,5+,6-,7+,9-/m0/s1
C9H17NO7251.23381100

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