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
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Found 8 results

Search term: HTABQNQMGKGBDT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62825289

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H11NO5/c1-14-9(13)8-5(2-3-11)15-7-4-6(12)10(7)8/h2,7-8,11H,3-4H2,1H3/b5-2-/t7-,8-/m1/s1
C9H11NO5213.18739800
107442420

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H11NO5/c1-14-9(13)8-5(2-3-11)15-7-4-6(12)10(7)8/h2,7-8,11H,3-4H2,1H3/b5-2-/t7-,8-/m1/s1/i1D3
C9H8D3NO5216.20583500
31045802

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H11NO5/c1-14-9(13)8-5(2-3-11)15-7-4-6(12)10(7)8/h2,7-8,11H,3-4H2,1H3/b5-2+
C9H11NO5213.18732100
58780801

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H11NO5/c1-14-9(13)8-5(2-3-11)15-7-4-6(12)10(7)8/h2,7-8,11H,3-4H2,1H3/b5-2-/t7-,8-/m1/s1/i1+1D3
C813CH8D3NO5217.19852200
74913331

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H11NO5/c1-14-9(13)8-5(2-3-11)15-7-4-6(12)10(7)8/h2,7-8,11H,3-4H2,1H3
C9H11NO5213.18731100
110542322

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H11NO5/c1-14-9(13)8-5(2-3-11)15-7-4-6(12)10(7)8/h2,7-8,11H,3-4H2,1H3/t7-,8-/m1/s1
C9H11NO5213.18731100
111312313

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H11NO5/c1-14-9(13)8-5(2-3-11)15-7-4-6(12)10(7)8/h2,7-8,11H,3-4H2,1H3/b5-2+/t7-,8-/m0/s1/i1+1D3
C813CH8D3NO5217.19851100

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