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: WXNXCEHXYPACJF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
64075

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
C8H15NO3173.2096151192891
1918

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)
C8H15NO3173.20961241733429
1042393

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m1/s1
C8H15NO3173.20961099327
5302846

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/p-1/t7-/m0/s1
C8H14NO3172.201662200
5414910

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/p-1/t7-/m1/s1
C8H14NO3172.20222200
9031353

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/i1D3,2+1,4D,5D/t4-,5?,7?/m1/s1
C713CH10D5NO3179.23312100
3850422

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/p-1
C8H14NO3172.20221100

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