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: ZUAVWNTVXZCOEL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
78541

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H15NO5/c1-8(15)14-12(13(17)18)7-10-3-5-11(6-4-10)19-9(2)16/h3-6,12H,7H2,1-2H3,(H,14,15)(H,17,18)/t12-/m0/s1
C13H15NO5265.2619564400
2100537

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H15NO5/c1-8(15)14-12(13(17)18)7-10-3-5-11(6-4-10)19-9(2)16/h3-6,12H,7H2,1-2H3,(H,14,15)(H,17,18)
C13H15NO5265.2619272100
645066

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H15NO5/c1-8(15)14-12(13(17)18)7-10-3-5-11(6-4-10)19-9(2)16/h3-6,12H,7H2,1-2H3,(H,14,15)(H,17,18)/t12-/m1/s1
C13H15NO5265.26198500
8691724

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H15NO5/c1-8(15)14-12(13(17)18)7-10-3-5-11(6-4-10)19-9(2)16/h3-6,12H,7H2,1-2H3,(H,14,15)(H,17,18)/t12-/m0/s1/i3D,4D,5D,6D,7D2,12D
C13H8D7NO5272.3052200
5308252

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H15NO5/c1-8(15)14-12(13(17)18)7-10-3-5-11(6-4-10)19-9(2)16/h3-6,12H,7H2,1-2H3,(H,14,15)(H,17,18)/p-1/t12-/m1/s1
C13H14NO5264.253961100

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