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: DDXFYNDEHYHXPW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8714324

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17NO5/c1-6(2)4-11-8-12(16,9(15)13-11)7(14)5-10(3,17-8)18-11/h6,8,16H,4-5H2,1-3H3,(H,13,15)/t8-,10+,11+,12+/m1/s1
C12H17NO5255.26715411
58816762

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H17NO5/c1-6(2)4-11-8-12(16,9(15)13-11)7(14)5-10(3,17-8)18-11/h6,8,16H,4-5H2,1-3H3,(H,13,15)/t8-,10?,11+,12+/m0/s1
C12H17NO5255.26715400
2338976

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17NO5/c1-6(2)4-11-8-12(16,9(15)13-11)7(14)5-10(3,17-8)18-11/h6,8,16H,4-5H2,1-3H3,(H,13,15)/t8-,10+,11+,12+/m0/s1
C12H17NO5255.267085500
8168102

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17NO5/c1-6(2)4-11-8-12(16,9(15)13-11)7(14)5-10(3,17-8)18-11/h6,8,16H,4-5H2,1-3H3,(H,13,15)/t8-,10-,11-,12-/m0/s1
C12H17NO5255.26712100
78445204

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C12H17NO5/c1-6(2)4-11-8-12(16,9(15)13-11)7(14)5-10(3,17-8)18-11/h6,8,16H,4-5H2,1-3H3,(H,13,15)/t8?,10?,11?,12-/m0/s1
C12H17NO5255.26711100
128922338

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H17NO5/c1-6(2)4-11-8-12(16,9(15)13-11)7(14)5-10(3,17-8)18-11/h6,8,16H,4-5H2,1-3H3,(H,13,15)/t8-,10?,11+,12+/m1/s1
C12H17NO5255.26711100

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