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 11 results

Search term: OUJTZYPIHDYQMC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5293690


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
C22H22N2O4378.4211104123941
171133

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)
C22H22N2O4378.4211739500
28295607

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/i3D3
C22H19D3N2O4381.4396141400
5406076

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m0/s1
C22H22N2O4378.4211111600
48057938

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D
C22H12D10N2O4388.48275500
110404752

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/i4D,6D,7D,10D,11D
C22H17D5N2O4383.45192200
114989567

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D
C22H12D10N2O4388.48271100
115009300

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1/i3D3
C22H19D3N2O4381.43961100
107445737

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m0/s1/i3D3
C22H19D3N2O4381.43961100
5328215

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/p-1/t19-/m1/s1
C22H21N2O4377.413141100
5406075

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/p-1/t19-/m0/s1
C22H21N2O4377.41371100

Advertisement