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: NVZFZMCNALTPBY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
91721

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
C9H12FN3O4245.20779260101
133418

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m1/s1
C9H12FN3O4245.2077574600
313363

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)
C9H12FN3O4245.2077232200
19975236

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6?,7-,8-/m1/s1
C9H12FN3O4245.207785011
409934

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m0/s1
C9H12FN3O4245.20776600
26606425

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7?,8-/m1/s1
C9H12FN3O4245.20775100
599930

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7+,8+/m0/s1
C9H12FN3O4245.20774300
4435474

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m0/s1
C9H12FN3O4245.20768323300
29789338

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6?,7?,8-/m1/s1
C9H12FN3O4245.20773500
32701784

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m1/s1/i10-1
C9H1218FN3O4244.21023500
35518611

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6?,7+,8-/m1/s1
C9H12FN3O4245.20773700
68727186

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7+,8-/m1/s1
C9H12FN3O4245.20773300
62478933

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7+,8-/m0/s1
C9H12FN3O4245.20772200
114394539

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6?,7+,8-/m0/s1
C9H12FN3O4245.20771100
114547264

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8+/m1/s1
C9H12FN3O4245.20771100
128925890

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7+,8-/m1/s1
C9H12FN3O4245.20771100
52085092

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m0/s1/i10-1
C9H1218FN3O4244.21021200

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