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 6 results

Search term: GSMKQUGDGYEWEP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7996501

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C13H28N4O2.Tc/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19;/h9-10,14-15,18-19H,7-8H2,1-6H3;/b16-11+,17-12+;/i;1+1
C13H28N4O299Tc371.29332200
17264326

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C13H28N4O2.Tc/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19;/h9-10,14-15,18-19H,7-8H2,1-6H3;/p-2/b16-11+,17-12+;/i;1+1
C13H26N4O299Tc369.27851100
25049103

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H28N4O2.Tc/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19;/h9-10,14-15,18-19H,7-8H2,1-6H3;/b16-11+,17-12+;/t9-,10-;/m1./s1/i;1+1
C13H28N4O299Tc371.29331300
34983883

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H28N4O2.Tc/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19;/h9-10,14-15,18-19H,7-8H2,1-6H3;/b16-11+,17-12+;/t9-,10+;/i;1+1
C13H28N4O299Tc371.29331100
65321462

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H28N4O2.Tc/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19;/h9-10,14-15,18-19H,7-8H2,1-6H3;/b16-11+,17-12+;/t9-,10-;/m1./s1/i;1-12
C13H28N4O286Tc358.3871100
98643203

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H28N4O2.Tc/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19;/h9-10,14-15,18-19H,7-8H2,1-6H3;/b16-11+,17-12+;/t9-,10-;/m1./s1
C13H28N4O2Tc370.29421100

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