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 6 results

Search term: RSMISTTWWXJOOG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
106378

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O6/c1-18-5-6-3-13(11(17)12-10(6)16)9-2-7(15)8(4-14)19-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
C11H16N2O6272.2545262700
113989

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O6/c1-18-5-6-3-13(11(17)12-10(6)16)9-2-7(15)8(4-14)19-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9+/m1/s1
C11H16N2O6272.25456500
107446119

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O6/c1-18-5-6-3-13(11(17)12-10(6)16)9-2-7(15)8(4-14)19-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9-/m1/s1
C11H16N2O6272.25452600
57491476

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O6/c1-18-5-6-3-13(11(17)12-10(6)16)9-2-7(15)8(4-14)19-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8+,9+/m1/s1
C11H16N2O6272.25451200
57522561

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H16N2O6/c1-18-5-6-3-13(11(17)12-10(6)16)9-2-7(15)8(4-14)19-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9?/m1/s1
C11H16N2O6272.25451100
68026902

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O6/c1-18-5-6-3-13(11(17)12-10(6)16)9-2-7(15)8(4-14)19-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9+/m0/s1
C11H16N2O6272.25451100

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