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 7 results

Search term: PMKQSEYPLQIEAY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4816367

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+
C13H12O8296.2296222200
4445099

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1
C13H12O8296.22958113900
3682427

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)
C13H12O8296.229586600
57373441

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m1/s1
C13H12O8296.22965400
67162510

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2-
C13H12O8296.22961100
128920746

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/p-2/b4-2+
C13H10O8294.21481100

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