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: KPGOFLYMMXWXNB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
148979

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H17NO6/c1-2-7(14)10-5(3-11)8(15)9(16)6(13)4-12/h3,5-6,8-9,12-13,15-16H,2,4H2,1H3,(H,10,14)/t5-,6+,8+,9+/m0/s1
C9H17NO6235.2344222120
117559

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H17NO6/c1-2-7(14)10-5(3-11)8(15)9(16)6(13)4-12/h3,5-6,8-9,12-13,15-16H,2,4H2,1H3,(H,10,14)/t5-,6-,8-,9-/m1/s1
C9H17NO6235.2344122500
474455

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H17NO6/c1-2-7(14)10-5(3-11)8(15)9(16)6(13)4-12/h3,5-6,8-9,12-13,15-16H,2,4H2,1H3,(H,10,14)
C9H17NO6235.23446600
75932501

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H17NO6/c1-2-7(14)10-5(3-11)8(15)9(16)6(13)4-12/h3,5-6,8-9,12-13,15-16H,2,4H2,1H3,(H,10,14)/t5-,6-,8+,9-/m0/s1
C9H17NO6235.23441100

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