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 9 results

Search term: XCUAIINAJCDIPM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
170635

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1
C9H13N3O6259.216414300
313398

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)
C9H13N3O6259.21672000
8553282

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7+,8-/m1/s1
C9H13N3O6259.2163100
115009207

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1/i3+1,4+1,6+1,7+1,8+1
C413C5H13N3O6264.17932200
115009208

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1/i3D2
C9H11D2N3O6261.22831100
128919025

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1/i9+1,10+1,12+1
C813CH13N15N2O6262.19551100
128925759

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6+,7-,8-/m1/s1
C9H13N3O6259.2161100
113061627

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6+,7?,8-/m1/s1
C9H13N3O6259.2161100
114876622

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m0/s1
C9H13N3O6259.2161100

Advertisement