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 10 results

Search term: QZZJZXAWLQYJFK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
449151

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6+,7-,9-/m1/s1
C10H14FN3O4259.2343171700
4440604

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6-,7-,9-/m1/s1
C10H14FN3O4259.23426329800
32699245

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6+,7-,9-/m0/s1
C10H14FN3O4259.234391000
32698894

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6+,7-,9-/m0/s1/i11-1
C10H1418FN3O4258.23686800
117278

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6+,7-,9+/m1/s1
C10H14FN3O4259.23434400
4435481

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6-,7-,9-/m0/s1
C10H14FN3O4259.23426322200
21211491

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/p+1/t5-,6+,7-,9-/m0/s1
C10H15FN3O4260.24171200
110806062

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6-,7+,9-/m1/s1
C10H14FN3O4259.23431100
114394540

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6?,7+,9-/m0/s1
C10H14FN3O4259.23431100

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