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 6 results

Search term: NXDDNODAJKZARA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
206935

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H13NO3/c1-7(2)4-5(8)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
C6H13NO3147.1723394400
2339486

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13NO3/c1-7(2)4-5(8)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1
C6H13NO3147.17232212800
5367549

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13NO3/c1-7(2)4-5(8)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1
C6H13NO3147.17236500
48062617

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO3/c1-7(2)4-5(8)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1/i1D3,2D3
C6H7D6NO3153.20934400
111314558

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO3/c1-7(2)4-5(8)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1/i1D3,2D3
C6H7D6NO3153.20931100
9357761

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13NO3/c1-7(2)4-5(8)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/p-1/t5-/m0/s1
C6H12NO3146.16491100

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