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 18 results

Search term: INGSNVSERUZOAK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
78360

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
C13H17NO2219.279610116410
9097257

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1
C13H17NO2219.2796172600
9217398

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12+/m0/s1
C13H17NO2219.279613900
29788255

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m0/s1
C13H17NO2219.2796122400
9228321

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12+/m1/s1
C13H17NO2219.2796111800
57530532

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m0/s1/i4D2,5D2,8D2,9D2,11D,12D
C13H7D10NO2229.341261600
58784947

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12+/m1/s1/i4D2,5D2,8D2,9D2,11D,12D
C13H7D10NO2229.341241200
49072234

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/i1+1,2+1,3+1,6+1,7+1,10+1
C713C6H17NO2225.23554300
57268799

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m0/s1/i11D,12D
C13H15D2NO2221.29194300
48062998

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/i4D2,5D2,8D2,9D2,11D,12D
C13H7D10NO2229.34123200
48063016

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11?,12-/m0/s1
C13H17NO2219.27963300
48063032

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1/i4D2,5D2,8D2,9D2,11D,12D
C13H7D10NO2229.34122200
48062154

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12+/m0/s1/i4D2,5D2,8D2,9D2,11D,12D
C13H7D10NO2229.34122200
57268798

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12+/m1/s1/i11D,12D
C13H15D2NO2221.29192100
75099233

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11?,12-/m1/s1
C13H17NO2219.27961200

Advertisement