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 13 results

Search term: HZQDCMWJEBCWBR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
94571

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
C9H13N3O6259.21610610100
4068

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)
C9H13N3O6259.216276600
23975964

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5?,6+,9-/m1/s1
C9H13N3O6259.2166500
35518787

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5+,6?,9-/m1/s1
C9H13N3O6259.2164400
21211744

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m0/s1
C9H13N3O6259.2163200
5036231

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5+,6+,9+/m0/s1
C9H13N3O6259.2163300
24656288

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9?/m1/s1
C9H13N3O6259.2162200
21211633

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5+,6-,9+/m0/s1
C9H13N3O6259.2161200
21211634

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/p+1/t3-,5+,6-,9+/m0/s1
C9H14N3O6260.22341200
107447441

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1/i4+1,8+1,11+1
C713C2H13N215NO6262.19471100
114391508

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6+,9+/m0/s1
C9H13N3O6259.2161100
128926224

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5+,6-,9-/m1/s1
C9H13N3O6259.2161100

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