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 5 results

Search term: NTUGPDFKMVHCCJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
180767

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H25NO4/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6/h9H,7-8,14H2,1-6H3/t9-/m0/s1
C13H25NO4259.3419463603
77656

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H25NO4/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6/h9H,7-8,14H2,1-6H3
C13H25NO4259.3419171411
5382691

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H25NO4/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6/h9H,7-8,14H2,1-6H3/t9-/m1/s1
C13H25NO4259.3419161400
5361300

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H25NO4/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6/h9H,7-8,14H2,1-6H3/p+1/t9-/m0/s1
C13H26NO4260.34931100
5382690

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H25NO4/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6/h9H,7-8,14H2,1-6H3/p+1/t9-/m1/s1
C13H26NO4260.34931100

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