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 5 results

Search term: DMBBSZBBZZUEMF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2042808

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H19NO4/c1-5-6-9-7-10(11(15)16)14(8-9)12(17)18-13(2,3)4/h1,9-10H,6-8H2,2-4H3,(H,15,16)/t9-,10+/m1/s1
C13H19NO4253.29426432600
10059840

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H19NO4/c1-5-6-9-7-10(11(15)16)14(8-9)12(17)18-13(2,3)4/h1,9-10H,6-8H2,2-4H3,(H,15,16)/p-1/t9-,10+/m1/s1
C13H18NO4252.28691100
109487106

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H19NO4/c1-5-6-9-7-10(11(15)16)14(8-9)12(17)18-13(2,3)4/h1,9-10H,6-8H2,2-4H3,(H,15,16)/t9-,10+/m0/s1
C13H19NO4253.29431100
110605421

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H19NO4/c1-5-6-9-7-10(11(15)16)14(8-9)12(17)18-13(2,3)4/h1,9-10H,6-8H2,2-4H3,(H,15,16)/t9-,10-/m0/s1
C13H19NO4253.29431100

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