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 14 results

Search term: STRZQWQNZQMHQR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
15979

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
C9H12FN3O5261.20711128114414
19111

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6+,8-/m1/s1
C9H12FN3O5261.20713132170
313327

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)
C9H12FN3O5261.2071194200
23936154

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5+,6?,8-/m1/s1
C9H12FN3O5261.2071111200
21468927

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5+,6-,8-/m1/s1
C9H12FN3O5261.20719500
405257

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m0/s1
C9H12FN3O5261.20719800
34978148

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8+/m1/s1
C9H12FN3O5261.20716400
427998

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5+,6-,8-/m0/s1
C9H12FN3O5261.20715400
428002

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5+,6+,8-/m0/s1
C9H12FN3O5261.20714300
21112256

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5?,6?,8-/m1/s1
C9H12FN3O5261.20713200
428001

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6+,8-/m0/s1
C9H12FN3O5261.20712200
397035

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/i10-1
C9H1218FN3O5260.20962200
24655415

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8?/m1/s1
C9H12FN3O5261.20712100
21211638

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5+,6-,8+/m0/s1
C9H12FN3O5261.20711100

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