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
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Single/Multi-component
Isotopically Labeled
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Found 7 results

Search term: WHOBYFHKONUTMW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2015472

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
C13H15NO3233.26311127800
9141614

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m1/s1
C13H15NO3233.26311046100
3266133

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
C13H15NO3233.2631373700
48057867

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1/i1D3
C13H12D3NO3236.28166700
26325012

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m1/s1/i1D3
C13H12D3NO3236.28163600
65328685

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/i1D3
C13H12D3NO3236.28162200

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