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 8 results

Search term: PVXVWWANJIWJOO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
94775

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3
C12H17NO2207.268948126209133
32700756

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3/t9-/m1/s1
C12H17NO2207.2689101100
32675229

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3/i1D3,2D3
C12H11D6NO2213.305971000
32675228

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3/i1D3,3D2
C12H12D5NO2212.299761100
32701572

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3/t9-/m0/s1
C12H17NO2207.26896700
27472399

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3/i2D3,6D2,9D
C12H11D6NO2213.30594600
31046837

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3/i2D3,6D2
C12H12D5NO2212.29973100

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