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 14 results

Search term: JCSREICEMHWFAY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
51863

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
C15H21NO2247.33274546172660
8236092

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3
C15H21NO2247.3327165400
8374299

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15?/m1/s1
C15H21NO2247.33275400
9600956

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1/i7-1
C1411CH21NO2246.33354500
31046972

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m0/s1
C15H21NO2247.33274300
9382434

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15+/m1/s1
C15H21NO2247.33273200
4925761

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14?,15-/m1/s1/i7-1
C1411CH21NO2246.33352200
64880288

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/i7-1
C1411CH21NO2246.33352200
78075798

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15+/m0/s1
C15H21NO2247.33272200
78361997

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m0/s1/i1D3,2D2,7D2
C15H14D7NO2254.37591100
114394390

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1/i1T,2T/t2?,14-,15-
C15H19T2NO2251.3491100
128920109

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/p+1/t14-,15-/m1/s1
C15H22NO2248.34011100
34947737

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15?/m0/s1
C15H21NO2247.33271100

Advertisement