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 8 results

Search term: SWMBOMMGMHMOHE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
71060588
InChI=1/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2/t2*3-,4-,5-,6-/m10/s1
C12H28O12364.34359900
77499336

4 of 4 defined stereocentres - 4/4 defined
InChI=1/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2/t3-,4+,5+,6-;3-,4-,5-,6+/m.1/s1
C12H28O12364.34354600
111311677

4 of 4 defined stereocentres - 4/4 defined
InChI=1/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2/t3-,4+,5+,6-;3-,4-,5-,6+/m.0/s1
C12H28O12364.34351100
128947555

4 of 4 defined stereocentres - 4/4 defined
InChI=1/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2/t3-,4+,5+,6-;3-,4+,5-,6-/m.1/s1
C12H28O12364.34351100
13812938
InChI=1/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2
C12H28O12364.34351500
21230308

4 of 4 defined stereocentres - 4/4 defined
InChI=1/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2/t3-,4+,5-,6-;3-,4-,5-,6-/m11/s1
C12H28O12364.34351102
21258443

0 of 4 defined stereocentres - 0/4 defined
InChI=1/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2/t3-,4-,5-,6-;/m1./s1
C12H28O12364.34351100
48063212

Non-standard isotope
InChI=1/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2/t2*3-,4+,5-,6-/m11/s1/i2*1+1,2+1,3+1,4+1,5+1,6+1
13C12H28O12376.25541100

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