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: JRNDKKNYOOZFRT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5361472

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO3/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11+/m1/s1
C12H15NO3221.2524171200
370071

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H15NO3/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2
C12H15NO3221.2524151500
5361474

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO3/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m0/s1
C12H15NO3221.25244300
45312119

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO3/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m1/s1
C12H15NO3221.25242200
75695479

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO3/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11+/m0/s1
C12H15NO3221.25241100
78362275

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H15NO3/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10?,11-/m1/s1
C12H15NO3221.25241100
5361471

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO3/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/p+1/t10-,11+/m1/s1
C12H16NO3222.25981100
5361473

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO3/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/p+1/t10-,11-/m0/s1
C12H16NO3222.25981100

Advertisement