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: QXWYKJLNLSIPIN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83927

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1
C9H11NO5213.18739211101
3059

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)
C9H11NO5213.18736171261
391994

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m1/s1
C9H11NO5213.1873232100
5366580

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8-/m0/s1
C9H11NO5213.1873191737026
144322

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8?/m0/s1
C9H11NO5213.18737900
5366583

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8-/m1/s1
C9H11NO5213.18736500
48060680

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1/i7+1,9+1,10+1
C713C2H1115NO5216.16615400
107445415

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1/i1D,2D,3D
C9H8D3NO5216.20585500
107448675

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
C313C6H11NO5219.14331100
76612429

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8?/m1/s1
C9H11NO5213.18731100

Advertisement