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 4 results

Search term: ACQFJWSLWQLLIA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8374648

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H17NO4/c1-3-7-11-8-5-4-6-9(19-2)10(8)12(14(17)18)15(11)13(7)16/h3,8-9,11H,4-6H2,1-2H3,(H,17,18)/b7-3+/t8-,9-,11-/m0/s1
C14H17NO4263.2891111100
8532025

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C14H17NO4/c1-3-7-11-8-5-4-6-9(19-2)10(8)12(14(17)18)15(11)13(7)16/h3,8-9,11H,4-6H2,1-2H3,(H,17,18)/b7-3+/t8-,9-,11?/m0/s1
C14H17NO4263.28911100
34890148

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H17NO4/c1-3-7-11-8-5-4-6-9(19-2)10(8)12(14(17)18)15(11)13(7)16/h3,8-9,11H,4-6H2,1-2H3,(H,17,18)/p-1/b7-3+/t8-,9-,11-/m0/s1
C14H16NO4262.28171100
8146758

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C14H17NO4/c1-3-7-11-8-5-4-6-9(19-2)10(8)12(14(17)18)15(11)13(7)16/h3,8-9,11H,4-6H2,1-2H3,(H,17,18)/b7-3+/t8-,9-,11?/m1/s1
C14H17NO4263.28911100

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